Information card for entry 4328725

Structure parameters

• Formula: C29 H46 Co2 N2 P4
• Calculated formula: C29 H46 Co2 N2 P4
• SMILES: [Co]12345(P6[Co]789%10%11%12(P6P8P17)[c]1([c]9([c]%12([c]%11([c]%101C)C)C)C)C)(=C1N(C=CN1C(C)C)C(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Symmetrical P4 Cleavage at Cobalt: Characterization of Intermediates on the Way from P4 to Coordinated P2 Units
• Authors of publication: Simon Dürr; Daniel Ertler; Udo Radius
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3904 - 3909
• a: 16.671 ± 0.003 Å
• b: 11.665 ± 0.002 Å
• c: 17.231 ± 0.003 Å
• α: 90°
• β: 108.69 ± 0.03°
• γ: 90°
• Cell volume: 3174.2 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No