Information card for entry 2007853

Structure parameters

• Chemical name: Tetracyclohexylcyclotetraphosphinepentacarbonylchrom(0)
• Formula: C29 H44 Cr O5 P4
• Calculated formula: C29 H44 Cr O5 P4
• SMILES: [Cr]([P]1(P(P(P1C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pentacarbonyl(1,2,3,4-tetracyclohexylcyclotetraphosphane-<i>P</i>)chromium(0), [Cr(CO)~5~(chexP)~4~]
• Authors of publication: Deeg, Axel; Wunderlich, Hartmut
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: IUC9800054
• a: 9.897 ± 0.001 Å
• b: 12.97 ± 0.002 Å
• c: 13.516 ± 0.003 Å
• α: 86.92 ± 0.01°
• β: 83.19 ± 0.01°
• γ: 76.28 ± 0.01°
• Cell volume: 1673 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No