Information card for entry 7201303

Structure parameters

• Formula: C4.5 H21 Cd1.5 Cl2 O13 P2
• Calculated formula: C4.5 H21 Cd1.5 Cl2 O13 P2
• Title of publication: Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives
• Authors of publication: Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2431
• a: 31.2205 ± 0.0003 Å
• b: 10.1546 ± 0.0001 Å
• c: 11.651 ± 0.0001 Å
• α: 90°
• β: 103.107 ± 0.001°
• γ: 90°
• Cell volume: 3597.51 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No