Information card for entry 4328727

Structure parameters

• Formula: C38 H62 Co2 N4 P4
• Calculated formula: C38 H62 Co2 N4 P4
• SMILES: [Co]12345(P6P7P1P6[Co]16897(=C7N(C=CN7C(C)C)C(C)C)[c]7([c]6([c]9([c]8([c]17C)C)C)C)C)(=C1N(C=CN1C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)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: 10.507 ± 0.007 Å
• b: 13.924 ± 0.009 Å
• c: 17.651 ± 0.012 Å
• α: 101.841 ± 0.008°
• β: 91.66 ± 0.007°
• γ: 105.228 ± 0.007°
• Cell volume: 2429 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No