Information card for entry 7201302

Structure parameters

• Formula: C13 H18 Cd Cl2 O10 P2
• Calculated formula: C13 H18 Cd Cl2 O10 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: 5.8432 ± 0.0001 Å
• b: 9.2266 ± 0.0002 Å
• c: 18.6853 ± 0.0005 Å
• α: 90°
• β: 91.103 ± 0.001°
• γ: 90°
• Cell volume: 1007.19 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No