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1.  (Benzyl­diphenyl­phosphine-3κP)[μ-bis(diphenyl­arsino)methane-1:2κ2 As:As′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-triangulo-triruthenium(0) 
The asymmetric unit of the title triangulo-triruthenium compound, [Ru3(C25H22As2)(C19H17P)(CO)9], consists of two crystallographically independent mol­ecules of the triangulo-triruthenium complex, A and B. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. With regard to the three phosphine-substituted rings, the benzyl ring makes dihedral angles of 41.0 (3) and 43.9 (3)° with the other two benzene rings in mol­ecule A; these angles are 49.8 (3) and 56.8 (3)° in mol­ecule B. The dihedral angles between the two benzene rings are 76.1 (3) and 88.2 (3)° for the two diphenyl­arsino groups in mol­ecule A and 71.3 (3) and 78.1 (3)° in mol­ecule B. In the crystal packing, mol­ecules are linked into chains via inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure.
doi:10.1107/S1600536809053045
PMCID: PMC2980180  PMID: 21579968
2.  [μ-Bis(diphenyl­arsino)methane-1:2κ2 As:As′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-tricyclo­hexyl­phosphine-3κP-triangulo-triruthenium(0) 
In the title triangulo-triruthenium compound, [Ru3(C25H22As2)(C18H33P)(CO)9], the bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. All three cyclo­hexane rings are disordered over two positions with site occupancies of 0.628 (6) and 0.372 (6). The mean planes of these three phosphine-substituted cyclo­hexane rings make dihedral angles of 53.0 (8), 68.3 (6) and 89.9 (7)° (major components), and 46.7 (14), 41.3 (11) and 75.8 (10)° (minor components) with each other. The dihedral angles between the two phenyl rings are 85.0 (2) and 88.1 (2)° for the two diphenyl­arsino groups. Two cyclo­hexane rings adopt a chair conformation whereas the other adopts a slightly twisted chair conformation for the major components; these conformations are similiar for the minor components. Intra­molecular C—H⋯O hydrogen bonds stabilize the mol­ecular structure. In the crystal packing, the mol­ecules are linked together into chains via inter­molecular C—H⋯O hydrogen bonds down the a axis. Weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure.
doi:10.1107/S1600536809047977
PMCID: PMC2972057  PMID: 21578646
3.  Bis{[μ-bis­(diphenyl­arsino)methane-1:2κ2 As:As′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[tris­(4-chloro­phen­yl)phosphine-3κP]-triangulo-triruthenium(0)} chloro­form monosolvate 
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C25H22As2)(C18H12Cl3P)(CO)9]·CHCl3, consists of two mol­ecules (A and B) of the triangulo-triruthenium complex and one mol­ecule of chloro­form solvent. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphine-substituted benzene rings make dihedral angles of 73.5 (3), 57.2 (3) and 75.7 (3)° with each other in mol­ecule A, while these angles are 60.7 (3), 86.8 (3) and 54.9 (3)° in mol­ecule B. The dihedral angles between the two benzene rings are 87.3 (3) and 89.6 (3)° for the two diphenyl­arsino groups in mol­ecule A and 85.6 (3) and 87.7 (3)° in mol­ecule B. In the crystal packing, the mol­ecules are linked into a three-dimensional framework via inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions furture stabilize the crystal structure. The crystal studied was an inversion twin, the refined ratio of twin components being 0.480 (7):0.520 (7).
doi:10.1107/S1600536809053884
PMCID: PMC2980153  PMID: 21579981
4.  [μ-Bis(diphenyl­arsino)methane-1:2κ2 As:As’]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-(triphenyl phosphite-3κP)-triangulo-triruthenium(0) 
The asymmetric unit of the title triangulo-triruthenium compound, [Ru3(C25H22As2)(C18H15O3P)(CO)9], contains two crystallographically independent but similar mol­ecules. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphite ligand bonds to the third Ru atom. Both the phosphite and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. One of the triphenyl­phosphite benzene rings in one of the mol­ecules is disordered over two positions with refined site occupancies of 0.60 (3) and 0.40 (3). In the crystal packing, the mol­ecules are stacked along a axis. Intra­molecular C—H⋯O hydrogen bonds stabilize the mol­ecular structure and weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure. The crystal studied was a non-merohedral twin, the refined ratio of the twin components being 0.618 (1):0.382 (1).
doi:10.1107/S1600536810001200
PMCID: PMC2979706  PMID: 21579683
5.  [μ-Bis(diphenyl­arsino)methane-1:2κ2 As:As′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[diphen­yl(phenyl­sulfanylmeth­yl)phosphine-3κP]-triangulo-triruthenium(0) chloro­form hemisolvate 
The asymmetric unit of the title triangulo-triruthenium cluster, [Ru3(C25H22As2)(C19H17PS)(CO)9]·0.5CHCl3, contains of one mol­ecule of the triangulo-triruthenium complex and half a mol­ecule of the disordered (two positions of equal weight) chloro­form solvent. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The benzene ring of phenyl­thio­methyl is disordered over two positions with refined site occupancies of 0.788 (11) and 0.212 (11). In the crystal packing, mol­ecules are linked into chains along b axis by inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure.
doi:10.1107/S1600536810001212
PMCID: PMC2979739  PMID: 21579685
6.  Bis{[μ-bis­(diphenyl­phosphino)methane-1:2κ2 P:P′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[tris­(4-methoxy­phen­yl)arsine-3κAs]-triangulo-triruthenium(0)} dichloro­methane solvate 
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C21H21AsO3)(C25H22P2)(CO)9]·CH2Cl2, contains one triangulo-triruthenium complex mol­ecule and one half-mol­ecule of the dichloro­methane solvent. The dichloro­methane solvent lies across a crystallographic inversion center leading to the mol­ecule being disordered over two positions of equal occupancy. The bis­(diphenyl­phosphino)methane ligand bridges an Ru—Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three arsine-substituted benzene rings make dihedral angles of 82.00 (6), 76.67 (7) and 66.09 (6)° with each other. The dihedral angles between the two benzene rings are 80.12 (8) and 78.34 (7)° for the two diphenyl­phosphino groups. In the crystal packing, the mol­ecules are linked together into chains down the b axis via inter­molecular C—H⋯O hydrogen bonds. An inter­molecular C—H⋯O hydrogen bond and weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure.
doi:10.1107/S1600536809052088
PMCID: PMC2980253  PMID: 21579930
7.  Bis{[μ-bis­(diphenyl­phosphan­yl)methane-1:2κ2 P:P′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[(4-methyl­sulfanylphen­yl)diphenyl­phosphane-3κP]-triangulo-triruthen­ium(0)} dichloro­methane monosolvate 
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C25H22P2)(C19H17PS)(CO)9]·CH2Cl2, contains one triangulo-triruthenium complex mol­ecule and one half-mol­ecule of the dichloro­methane solvent. The dichloro­methane solvent mol­ecule lies across a crystallographic inversion center leading to the mol­ecule being disordered over two positions of equal occupancy. The bis­(diphenyl­phosphan­yl)methane ligand bridges an Ru—Ru bond and the monodentate phosphane ligand bonds to the third Ru atom. All phosphane ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphane-substituted benzene rings make dihedral angles of 87.18 (11), 59.59 (10) and 89.28 (11)° with each other. The dihedral angles between the two benzene rings are 78.48 (11) and 87.58 (11)° for the two diphenyl­phosphanyl groups. In the crystal, the mol­ecules are stacked along the a axis. Weak inter­molecular C—H⋯π inter­actions stabilize the crystal structure.
doi:10.1107/S1600536811000778
PMCID: PMC3051800  PMID: 21522879
8.  Bis([μ-bis­(diphenyl­phosphino)methane-1:2κ2 P:P′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-{tris­[4-(methyl­sulfan­yl)phen­yl]arsine-3κAs}-triangulo-triruthenium(0)) dichloro­methane monosolvate 
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C21H21AsS3)(C25H22P2)(CO)9]·CH2Cl2, consists of one triangulo-triruthenium complex mol­ecule and one half of a dichloro­methane mol­ecule which lies across a crystallographic inversion center, leading to the disorder of this mol­ecule over two positions of equal occupancy. The bis­(diphenyl­phosphino)methane ligand bridges an Ru—Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru3 triangle. Each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three arsine-substituted benzene rings make dihedral angles of 82.69 (9), 70.43 (9) and 89.45 (9)° with each other. The dihedral angles between the two benzene rings are 85.14 (11) and 77.61 (10)° for the two diphenyl­phosphino groups. In the crystal packing, mol­ecules are linked together into dimers via inter­molecular C—H⋯O hydrogen bonds and these dimers are stacked along the a axis. Weak inter­molecular C—H⋯π inter­actions are also present.
doi:10.1107/S160053681003093X
PMCID: PMC3008007  PMID: 21588546
9.  Bis([μ-bis­(diphenyl­arsino)methane-1:2κ2 As:As’]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-{tris­[4-(methyl­sulfan­yl)phen­yl]arsine-3κAs}-triangulo-triruthenium(0)) dichloro­methane monosolvate 
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C25H22As2)(C21H21AsS3)(CO)9]·CH2Cl2, consists of one triangulo-triruthenium complex mol­ecule and one half of a dichloro­methane mol­ecule which lies across a crystallographic inversion center, leading to the disorder of this mol­ecule over two positions of equal occupancy. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate arsine ligand bonds to the third Ru atom. All arsine ligands are equatorial with respect to the Ru3 triangle. Each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three methyl­sulfanyl-substituted benzene rings make dihedral angles of 70.02 (8), 82.85 (9) and 89.49 (8)° with each other. The dihedral angles between the two phenyl rings are 78.25 (9) and 86.59 (9)° for the two diphenyl­arsino groups. In the crystal, weak inter­molecular C—H⋯π inter­actions are observed.
doi:10.1107/S1600536810032812
PMCID: PMC3007838  PMID: 21588547
10.  (μ-3,4-Diacetyl­hexa-2,4-diene-2,5-diol­ato-κ4 O 2,O 3:O 4,O 5)bis­[aqua(1,10-phen­an­thro­line-κ2 N,N′)copper(II)] bis­(tetra­fluorid­oborate) monohydrate 
In the title compound, [Cu2(C10H12O4)(C12H8N2)2(H2O)2](BF4)2·H2O, the two Cu atoms are each chelated by the acetyl­acetonate unit of the 3,4-diacetyl­hexa-2,4-diene-2,5-diolate (tae) ligand. The Cu atoms are square-pyramidally penta­coordinated, with one bidentate 1,10-phenanthroline (phen) and the tae ligand basal and one water mol­ecule apical. The pyridyl rings of the phen ligands participate in π–π [centroid–centroid distance = 3.894 (3) Å] and C—H ⋯ π inter­actions, generating layers which are inter­connected through O—H⋯O and O—H⋯F hydrogen bonds between the water mol­ecules and the tetra­fluorido­borate anions. The F atoms of both tetra­fluorido­borate anions are each disordered over two positions of equal occupancy.
doi:10.1107/S1600536809006898
PMCID: PMC2969010  PMID: 21582322
11.  Undeca­carbonyl-1κ3 C,2κ4 C,3κ4 C-{tris­[4-(methyl­sulfanyl)­phen­yl]arsine-1κAs}-triangulo-triruthenium(0) 
The crystal structure of the title triangulo-triruthenium compound, [Ru3(C21H21AsS3)(CO)11], confirms that during the synthesis one equatorial carbonyl ligand is substituted by a monodentate arsine ligand, leaving one equatorial and two axial carbonyl substituents on an Ru atom. The other two Ru atoms each carry two equatorial and two axial carbonyl ligands. The three arsine-substituted benzene rings make dihedral angles of 77.94 (13), 86.37 (13) and 73.22 (12)° with each other. Two of the methylsulfanyl groups are disordered over two positions with refined site occupancies of 0.720 (7):0.280 (7) and 0.644 (8):0.356 (8). In the crystal structure, mol­ecules are linked into infinite chains along the a axis by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810029223
PMCID: PMC3007950  PMID: 21588476
12.  1-Benzyl­imidazolium hexa­fluoro­phosphate–1-benzyl­imidazole (1/1) 
In the title compound, C10H11N2 +·PF6 −·C10H10N2, the H atom involved in protonation is disordered equally between the cation and the neutral mol­ecule. The dihedral angle between the phenyl and imidazole rings is 82.6 (2)°. In the crystal structure, there are head-to-tail π–π stacking inter­actions between imidazole rings; the inter­planar separation is 3.295 (1) Å and the centroid–centroid separation is 3.448 (3) Å. In the centrosymmetric anion, two F atoms are disordered over two positions; the refined site-occupancy factors are 0.855 (11) and 0.145 (11).
doi:10.1107/S1600536807061259
PMCID: PMC2960327  PMID: 21201503
13.  (1S,8R,15S,19R)-17-Benzyl-17-aza­penta­cyclo­[6.6.5.02,7.09,14.015,19]nona­deca-2(7),3,5,9(14),10,12-hexa­ene chloro­form monosolvate 
In the title compound, C25H23N·CHCl3, the dihydro­anthracene unit is bent with a dihedral angle between the benzene rings of 57.82 (8)°. The N atom of the pyrrolidine heterocycle, which has an envelope conformation with the N atom as the flap, exhibits a pronounced pyramidalization [Σ(C—N—C) = 328.07°], indicating an accentuated N-donor character. In the crystal, this behaviour is evident by the C—H⋯N hydrogen bond involving a solvent mol­ecule and the N atom. The absolute configuration at the C-atom fused positions of the pyrrolidine group were crystallographically confirmed to be S and R.
doi:10.1107/S1600536812037749
PMCID: PMC3470235  PMID: 23125679
14.  [1,1′-Bis(diphenyl­phosphan­yl)cobalto­cenium]carbonyl­chloridohydrido(triphenyl­phosphane)ruthenium(II) hexa­fluoridophosphate dichloro­methane disolvate 
In the title compound, [CoRu(C17H14P)2ClH(C18H15P)(CO)]PF6·2CH2Cl2, the RuII atom is coordinated by three P atoms from a chelating 1,1′-bis­(diphenyl­phosphan­yl)cobaltocenium ligand and a triphenyl­phosphine ligand, one CO ligand, one Cl atom and one H atom in a distorted octa­hedral geometry. In the cobaltocenium unit, the two cyclo­penta­dienyl rings are almost parallel, making a dihedral angle of 1.2 (3)°. The F atoms of the hexa­fluoridophosphate anion are disordered over two sets of sites, with an occupancy ratio of 0.849 (11):0.151 (11). Intra­molecular C—H⋯Cl hydrogen bonds occur in the complex cation. The complex cations, hexa­fluoridophosphate anions and dichloro­methane solvent mol­ecules are linked by inter­molecular C—H⋯F hydrogen bonds.
doi:10.1107/S1600536811044035
PMCID: PMC3238603  PMID: 22199494
15.  1-Benzyl-3-(2-furylmeth­yl)-1,2,3,4,5,6-hexa­hydro­spiro­[benzo[h]quinazoline-5,1′-cyclo­hexa­ne]-2,4-dione 
The title compound, C29H28N2O3, displays anti­depressant and anti­cancer activities. The furan ring is disordered over two orientations [site occupancies 0.690 (12)/0.310 (12)] related by a rotation of 180°. The ring conformations are chair for the cyclo­hexane ring, boat for the cyclo­hexa­diene ring and twist for the pyrimidine ring. The crystal packing is determined solely by van der Waals inter­actions.
doi:10.1107/S1600536808007502
PMCID: PMC2961069  PMID: 21202138
16.  (2E,6E)-2,6-Bis(2,4,5-trimethoxy­benzyl­idene)cyclo­hexa­none 
In the title compound, C26H30O7, one atom in the cyclo­hexa­none ring is disordered over two positions with a site-occupancy ratio of 0.871 (6):0.129 (6). The dihedral angles formed between the mean plane through the six C atoms of the major component of the cyclo­hexa­none ring and two benzene rings are 35.09 (10) and 34.21 (10)°; the corresponding angles for the minor component are 20.1 (2) and 19.5 (2)°. Both the major and minor disordered components of the cyclo­hexa­none ring adopt half-boat conformations. In the crystal packing, inter­molecular C—H⋯O hydrogen bonds connect the mol­ecules into a three-dimensional network.
doi:10.1107/S1600536810005192
PMCID: PMC2983730  PMID: 21580387
17.  Decacarbonyl-1κ3 C,2κ3 C,3κ4 C-bis­[tris­(3-chloro­phen­yl)phosphine]-1κP,2κP-triangulo-triruthenium(0) monohydrate 
The asymmetric unit of the title triangulo-triruthenium compound, [Ru3(C18H12Cl3P)2(CO)10]·H2O, consists of one triangulo-triruthenium complex and one disordered water solvent molecule. Two of the 3-chloro­phenyl rings are disordered over two positions with refined site occupancies of 0.671 (3)/0.329 (3) and 0.628 (3)/0.372 (3). The water mol­ecule is disordered over two positions with refined site occupancies of 0.523 (7) and 0.477 (7). Two equatorial carbonyl groups have been substituted by the two monodentate phosphine ligands, leaving one equatorial and two axial carbonyl substituents on the two Ru atoms. The remaining Ru atom carries two equatorial and two axial terminal carbonyl ligands. In the crystal structure, mol­ecules are linked into columns along the a axis by inter­molecular C—H⋯Cl and C—H⋯O hydrogen bonds. The mol­ecular structure is stabilized by weak intra­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810013838
PMCID: PMC2979284  PMID: 21579061
18.  [μ-Bis(diphenyl­phosphan­yl)ethane-1:2κ2 P:P′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-(triphenyl­stibine-3κSb)-triangulo-triruthenium(0) 
The asymmetric unit of the title triangulo-triruthenium compound, [Ru3(C26H24P2)(C18H15Sb)(CO)9], consists of two crystallographically independent mol­ecules, A and B. The bis­(diphenyl­phosphan­yl)ethane ligand bridges an Ru—Ru bond and the monodentate stibine ligand bonds to the third Ru atom. Both the stibine and phosphine ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three stibine-substituted benzene rings make dihedral angles of 38.7 (3), 71.5 (3) and 70.0 (3)° with each other in mol­ecule A whereas these angles are 83.9 (3), 88.2 (3) and 56.8 (3)° in mol­ecule B. Similarly, the dihedral angles between the two benzene rings are 80.7 (3) and 87.6 (3)° for the two diphenyl­phosphanyl groups in mol­ecule A and 84.0 (3) and 72.6 (4)° in mol­ecule B. In the crystal, mol­ecules are linked into tetra­mers via inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure.
doi:10.1107/S1600536810054218
PMCID: PMC3051588  PMID: 21522852
19.  [μ-Bis(di-o-tolyl­phosphan­yl)methane-1:2κ2 P:P′]deca­carbonyl-1κ3 C,2κ3 C,3κ4 C-triangulo-triruthenium(0)–methanol (8/1) 
The asymmetric unit of the title compound, [Ru3(C29H30P2)(CO)10].1/8CH3OH, contains two triangulo-triruthenium mol­ecules with similar configurations and a methanol solvent mol­ecule (fractional site occupancy for the latter = 0.25). The bis­(di-o-tolyl­phosphan­yl)methane ligand bridges an Ru—Ru bond and its P atoms are equatorial with respect to the Ru3 triangle. The phosphine-substituted Ru atoms each bear one equatorial and two axial terminal carbonyl ligands whereas the unsubstituted Ru atom carries two equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings attached to each P atom are 76.26 (13) and 74.76 (15)° for the first mol­ecule and 77.21 (13) and 75.68 (14)° for the second. In the crystal, mol­ecules are linked into [001] chains via inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions also occur.
doi:10.1107/S1600536811000791
PMCID: PMC3051575  PMID: 21522864
20.  [μ-Bis(di-o-tolyl­phosphan­yl)methane-1:2κ2 P:P′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[diphen­yl(phenyl­sulfanylmeth­yl)phosphane-3κP]-triangulo-triruthenium(0) dichloro­methane 0.25-solvate 
In the title compound, [Ru3(C29H30P2)(C19H17PS)(CO)9]·0.25CH2Cl2, the atoms of the dichloro­methane solvent mol­ecule have a fractional site occupancy of 0.25; the dichloro­methane mol­ecule is disordered about an inversion centre. The bis­(di-o-tolyl­phosphan­yl)methane ligand bridges an Ru—Ru bond and the monodentate phosphane ligand bonds to the third Ru atom; its S-bonded phenyl ring is disordered over two orientations in a 0.53 (4):0.47 (4) ratio. All the P atoms are equatorial with respect to the Ru3 triangle: each Ru atom also bears one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings attached to each P atom of the diphenyl­phosphanyl ligand are 68.4 (2) and 71.5 (2)°. In the crystal, mol­ecules are linked into [001] chains via inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions also occur.
doi:10.1107/S160053681100081X
PMCID: PMC3051507  PMID: 21522863
21.  Dichlorido-1κCl,3κCl-hexa­kis­[1,1,2,2,3,3(η5)-cyclo­penta­dien­yl]di-μ2-oxido-1:2κ2 O:O;2:3κ2 O:O-trizirconium(IV) 
The title compound, [Zr3(C5H5)6Cl2O2], exists as discrete mol­ecules possessing a series of three Cp2Zr units (Cp is cyclo­penta­dien­yl) bridged by oxide ligands and end-capped by chloride ligands. The Cp planes in the central and terminal zirconocene units form dihedral angles of 53.3 (2) and 53.5 (2)°, respectively. The two Zr—O—Zr bridge angles are nearly linear and form a planar Zr3O2 core. The mol­ecule bears C2 symmetry with the central Zr atom lying on a crystallographic twofold axis.
doi:10.1107/S1600536812024968
PMCID: PMC3393167  PMID: 22807735
22.  Bis{[μ-bis­(diphenyl­arsino)methane-1:2κ2 As:As′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[tris­(4-methoxy­phen­yl)arsine-3κAs]-triangulo-triruthenium(0)} dichloro­methane solvate 
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C25H22As2)(C21H21AsO3)(CO)9]·CH2Cl2, contains one triangulo-triruthenium complex mol­ecule and one half of the dichloro­methane solvent. The dichloro­methane solvent lies across a crystallographic inversion center leading to the mol­ecule being disordered over two positions of equal occupancy. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both the arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The trimethoxy­phenyl­arsino benzene rings make dihedral angles of 83.01 (8), 65.81 (8) and 76.20 (8)° with each other. The dihedral angles between the two benzene rings are 82.69 (9) and 78.83 (9)° for the two diphenyl­arsino groups. In the crystal packing, the mol­ecules are stacked along the a axis and weak inter­molecular C—H⋯π inter­actions stabilize the crystal structure.
doi:10.1107/S160053680905315X
PMCID: PMC2979775  PMID: 21579650
23.  catena-Poly[[tetra­aqua­nickel(II)]-μ-(9,10-dioxo-9,10-dihydro­anthracene-1,4,5,8-tetra­carboxyl­ato)-κ2 O 1:O 8-[tetra­aqua­nickel(II)]-μ-4,4′-bipyridine-κ2 N:N′] 
In the crystal of the title polymeric complex, [Ni2(C18H4O10)(C10H8N2)(H2O)8]n, each NiII cation is coord­in­ated by four water mol­ecules in the equatorial plane, and is further bridged by an 9,10-dioxo-9,10-dihydro­anthracene-1,4,5,8-tetra­carb­oxy­l­ate anion and a 4,4′-bipyridine ligand in the axial directions, forming a distorted octa­hedral geometry. The 9,10-dioxo-9,10-dihydro­anthracene-1,4,5,8-tetra­carboxyl­ate anion is centrosymmetric with the centroid of the quinone ring located about an inversion center; the 4,4′-bipyridine ligand is also centrosymmetric with the mid-point of the C—C bond linking two pyridine rings located about another invertion center. The 9,10-dioxo-9,10-dihydro­anthracene-1,4,5,8-tetra­carboxyl­ate anion and bypiridine ligand bridge the NiII cations, forming a polymeric chain along the b axis. π–π stacking is observed between pyridine and benzene rings [centroid–centroid distance = 3.705 (2) Å]. All of the coordinating water mol­ecules are involved in O—H⋯O hydrogen bonding.
doi:10.1107/S1600536812027493
PMCID: PMC3393213  PMID: 22807781
24.  [μ-Bis(diphenyl­phosphan­yl)ethane-1:2κ2 P:P′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[tris­(4-(meth­oxy­phen­yl)arsane-3κAs]-triangulo-triruthenium(0) chloro­form monosolvate 
The asymmetric unit of the title triangulo-triruthenium compound, [Ru3(C21H21AsO3)(C26H24P2)(CO)9]·CHCl3, consists of one mol­ecule of the triangulo-triruthenium complex and one chloro­form solvent mol­ecule. The bis(diphenyl­phosphan­yl)ethane ligand bridges an Ru—Ru bond and the monodentate arsane ligand bonds to the third Ru atom. Both the arsane and phosphine ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three arsane-substituted benzene rings make dihedral angles of 52.72 (19), 63.03 (19) and 88.19 (19)° with each other. The dihedral angles between the two benzene rings are 85.8 (2) and 89.2 (2)° for the two diphenyl­phosphanyl groups. In the crystal, mol­ecules are linked together into a three-dimensional network via inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure.
doi:10.1107/S160053681100047X
PMCID: PMC3051462  PMID: 21522851
25.  5-Benzyl-7-methyl­hexa­hydro-3a,7-methano-1H-furo[3,4-c]azocine-3,10(4H)-dione 
The title compound, C18H21NO3, was obtained via a double Mannich condensation reaction of 6-methyl­tetra­hydro­isobenzofuran-1,7(3H,7aH)-dione with formaldehyde and benzyl­amine. The mol­ecule contains three fused rings of which the cyclo­hexa­none and piperidine rings adopt chair conformations and the furan­one ring assumes an envelope conformation. An inter­molecular C—H⋯π inter­action is present in the crystal structure.
doi:10.1107/S160053681100300X
PMCID: PMC3051963  PMID: 21522339

Results 1-25 (331349)