Information card for entry 4327581

Structure parameters

• Formula: C72 H150 Be3 Cl2 Co4 O45 P12
• Calculated formula: C70 Be3 Cl2 Co4 O45 P12
• SMILES: [Co]12345(P(OCC)(OCC)=[O][Be]67[O]=P([Co]89%10%11(P(=[O]6)(OCC)OCC)(P(=[O]7)(OCC)OCC)[cH]6[cH]%10[cH]%11[cH]8[cH]96)(OCC)OCC)(P(OCC)(OCC)=[O][Be]([O]=P1(OCC)OCC)[O]=P([Co]1678([P](=[O][Be]9%10[O]=P([Co]%11%12%13%14(P(=[O]9)(OCC)OCC)(P(=[O]%10)(OCC)OCC)[cH]9[cH]%11[cH]%13[cH]%14[cH]%129)(OCC)OCC)(OCC)OCC)(P(=O)(OCC)OCC)[cH]9[cH]1[cH]6[cH]7[cH]89)(OCC)OCC)[cH]1[cH]2[cH]3[cH]4[cH]51.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O(CC)CC
• Title of publication: Beryllium(II) Complexes of the Kläui Tripodal Ligand Cyclopentadienyltris(diethylphosphito-P)cobaltate(-)
• Authors of publication: Pierluigi Barbaro; Franco Cecconi; Dainis Dakternieks; Sixto Dominguez; Andrew Duthie; Carlo A. Ghilardi; Stefano Midollini; Annabella Orlandini; Alberto Vacca
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2725 - 2729
• a: 22.719 ± 0.008 Å
• b: 19.648 ± 0.007 Å
• c: 14.758 ± 0.005 Å
• α: 96.3 ± 0.05°
• β: 82.48 ± 0.05°
• γ: 107.93 ± 0.05°
• Cell volume: 6197 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2029
• Residual factor for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections: 0.4087
• Weighted residual factors for significantly intense reflections: 0.3882
• Goodness-of-fit parameter for all reflections: 2.979
• Goodness-of-fit parameter for significantly intense reflections: 3.439
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No