Information card for entry 2205537

Structure parameters

• Chemical name: catena-Poly[diaquacadmium(II)-μ-(diethyl dichloromethylenebisphosphonato)- κ^3^O,O':O''-tetraaquacadmium(II)-μ-(diethyl dichloromethylenebisphosphonato)- κ^3^O:O',O'']
• Formula: C5 H16 Cd Cl2 O9 P2
• Calculated formula: C5 H16 Cd Cl2 O9 P2
• SMILES: [Cd]12([OH2])(OP(=O)(OCC)C(Cl)(Cl)P(=[O]1)(O[Cd]([OH2])([OH2])([OH2])([OH2])OP1(=[O][Cd]3([OH2])([OH2])(OP(=O)(OCC)C1(Cl)Cl)OP(=O)(OCC)C(Cl)(Cl)P(=[O]3)(O[Cd]([OH2])([OH2])([OH2])[OH2])OCC)OCC)OCC)([OH2])OP(=O)(OCC)C(Cl)(Cl)P(O2)(=O)OCC
• Title of publication: <i>catena</i>-Poly[diaquacadmium(II)-μ-(diethyl dichloromethylenebisphosphonato)-κ^3^<i>O,O</i>':<i>O</i>''-tetraaquacadmium(II)-μ-(diethyl dichloromethylenebisphosphonato)-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']
• Authors of publication: Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m638 - m640
• a: 7.5437 ± 0.0002 Å
• b: 8.5071 ± 0.0002 Å
• c: 11.8973 ± 0.0004 Å
• α: 97.4564 ± 0.0012°
• β: 97.4929 ± 0.0011°
• γ: 91.4131 ± 0.0012°
• Cell volume: 749.92 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes