Information card for entry 7020821

Structure parameters

• Formula: C23 H70 Cu2 N16 O23 P4
• Calculated formula: C23 H70 Cu2 N16 O23 P4
• SMILES: [Cu]123[O]4[Cu]5([O]2C(P(=O)(C[NH2]1)[O-])(c1ccccc1)P(=O)([O-])C[NH2]5)[NH2]CP(=O)([O-])C4(c1ccccc1)P(=O)([O-])C[NH2]3.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O
• 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: 14.1333 ± 0.0004 Å
• b: 14.2073 ± 0.0004 Å
• c: 14.4339 ± 0.0004 Å
• α: 69.875 ± 0.001°
• β: 76.646 ± 0.001°
• γ: 65.391 ± 0.001°
• Cell volume: 2461.05 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No