Information card for entry 7202590

Structure parameters

• Formula: C28 H64 Cl8 N4 Na2 O26 P8 Zn3
• Calculated formula: C28 H64 Cl8 N4 Na2 O26 P8 Zn3
• 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: 9.8138 ± 0.0001 Å
• b: 11.2658 ± 0.0001 Å
• c: 15.1752 ± 0.0002 Å
• α: 100.624 ± 0.001°
• β: 105.179 ± 0.001°
• γ: 105.465 ± 0.001°
• Cell volume: 1501.22 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No