Information card for entry 7202588

Structure parameters

• Formula: C42 H98 Cl12 Cu6 N6 O40 P12
• Calculated formula: C42 H98 Cl12 Cu6 N6 O40 P12
• Title of publication: Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester
• Authors of publication: Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 158
• a: 8.615 ± 0.0001 Å
• b: 16.1796 ± 0.0002 Å
• c: 18.0133 ± 0.0002 Å
• α: 66.868 ± 0.001°
• β: 82.44 ± 0.001°
• γ: 81.925 ± 0.001°
• Cell volume: 2278.01 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No