Information card for entry 2004519

Structure parameters

• Formula: C82 H60 Cr2 N2 O10 P4
• Calculated formula: C82 H60 Cr2 N2 O10 P4
• SMILES: [Cr]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [PPN]~2~[Cr~2~(CO)~10~], a Salt of the Dimeric Cr^1{-^} Carbonyl Complex Without a Coordinating Counterion
• Authors of publication: Lee, I.; Geib, S. J.; Cooper, N. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 292 - 294
• a: 12.847 ± 0.002 Å
• b: 15.196 ± 0.003 Å
• c: 20.57 ± 0.004 Å
• α: 94.61 ± 0.02°
• β: 90.07 ± 0.02°
• γ: 114.53 ± 0.02°
• Cell volume: 3638.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.2229
• Weighted residual factors for significantly intense reflections: 0.0783
• Goodness-of-fit parameter for all reflections: 0.765
• Goodness-of-fit parameter for significantly intense reflections: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No