Information card for entry 2216460

Structure parameters

• Chemical name: <i>cis</i>-μ-1,4-Diphenyl-1,4-diphosphorinane-κ^2^P:P'- bis[pentacarbonylchromium(0)] deuterochloroform solvate
• Formula: C27 H18 Cl3 Cr2 D O10 P2
• Calculated formula: C27 H19 Cl3 Cr2 O10 P2
• SMILES: [Cr]([P]1(CC[P]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(CC1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].C(Cl)(Cl)Cl
• Title of publication: <i>cis</i>-μ-1,4-Diphenyl-1,4-diphosphorinane-κ^2^<i>P</i>:<i>P</i>'-bis[pentacarbonylchromium(0)] deuterochloroform solvate
• Authors of publication: Manfred Fild; Krüger, Oana N.; Silaghi-Dumitrescu, Ioan; Thöne, Carsten; Andreas Weinkauf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3011 - m3011
• a: 10.704 ± 0.0012 Å
• b: 11.6806 ± 0.0012 Å
• c: 25.7328 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3217.3 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No