Information card for entry 2016931

Structure parameters

• Chemical name: <i>catena</i>-poly[[[diaquadiethanolcobalt(II)]-μ-1,4- bis(diphenylphosphinoyl)butane-κ^2^O:O'] dinitrate 1,4-bis(diphenylphosphinoyl)butane solvate]
• Formula: C60 H72 Co N2 O14 P4
• Calculated formula: C60 H72 Co N2 O14 P4
• SMILES: [Co]([O]=P(c1ccccc1)(c1ccccc1)CCCCP(=[O][Co]([OH]CC)([OH2])([OH]CC)[OH2])(c1ccccc1)c1ccccc1)([OH]CC)([OH2])([O]=P(c1ccccc1)(c1ccccc1)CCCCP(=O)(c1ccccc1)c1ccccc1)([OH]CC)[OH2].O=N(=O)[O-].O=P(c1ccccc1)(c1ccccc1)CCCCP(=O)(c1ccccc1)c1ccccc1.O=N(=O)[O-].O=P(c1ccccc1)(c1ccccc1)CCCCP(=O)(c1ccccc1)(c1ccccc1).O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Manganese(II) and cobalt(II) complexes of 1,4-bis(diphenylphosphinoyl)butane
• Authors of publication: Lees, Anthony M. J.; Platt, Andrew W. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m10 - m13
• a: 13.3646 ± 0.0005 Å
• b: 10.2517 ± 0.0005 Å
• c: 22.0744 ± 0.0011 Å
• α: 90°
• β: 101.92 ± 0.003°
• γ: 90°
• Cell volume: 2959.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1071
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes