Information card for entry 7020820

Structure parameters

• Formula: C12 H69 Co4 Li2 N6 O33.5 P6
• Calculated formula: C12 H64 Co4 Li2 N6 O33.5 P6
• Title of publication: Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.
• Authors of publication: David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2414 - 2422
• a: 13.0426 ± 0.0003 Å
• b: 13.2471 ± 0.0004 Å
• c: 26.9972 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4664.5 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No