Information card for entry 2204036

Structure parameters

• Common name: Strontium clodronate
• Chemical name: Pentaaqua(dichloromethylenebisphosphonato)strontium(II)
• Formula: C H12 Cl2 O11 P2 Sr
• Calculated formula: C H12 Cl2 O11 P2 Sr
• SMILES: [Sr]1([OH2])([OH2])([OH2])([OH2])([OH2])OP(=O)(O)C(Cl)(Cl)P(=O)(O1)O
• Title of publication: Pentaaqua(dichloromethylenebisphosphonato)strontium(II)
• Authors of publication: Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1060 - m1062
• a: 10.5207 ± 0.0001 Å
• b: 11.8587 ± 0.0001 Å
• c: 10.9164 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1361.95 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes