Information card for entry 7012893

Structure parameters

• Formula: C39 H41 Co10 N2 O23 P2
• Calculated formula: C39 H40 Co10 N2 O23 P2
• SMILES: [P]1234567[P]89%10%11%12%13[Co]%14%15%16%17%184([Co]4%19%202([Co]1([Co]3%144([Co]17%10%16([Co]234769([Co]658%15%19([Co]5%112([Co]%12([Co]%13135(C7=O)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C6=O)(C4=O)C#[O])(C#[O])C#[O])C#[O])(C#[O])C#[O])(C%20=O)(C#[O])C%18=O)(C#[O])(C#[O])C#[O])(C#[O])C%17=O)C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Synthesis and characterization of a decacobalt carbonyl cluster with two semi-interstitial phosphorus atoms
• Authors of publication: Hong, Chang Seop; Berben, Louise A.; Long, Jeffrey R.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2119
• a: 10.0788 ± 0.0002 Å
• b: 11.861 ± 0.0004 Å
• c: 22.917 ± 0.0008 Å
• α: 82.243 ± 0.001°
• β: 79.064 ± 0.001°
• γ: 86.405 ± 0.001°
• Cell volume: 2663.3 ± 0.14 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1161
• Weighted residual factors for significantly intense reflections: 0.1009
• Goodness-of-fit parameter for all reflections: 0.997
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No