Information card for entry 4308957

Structure parameters

• Formula: C7 H22 Cl2 O10 P2 Zn
• Calculated formula: C7 H22 Cl2 O10 P2 Zn
• Title of publication: Structures of Bisphosphonate Metal Complexes: Zinc and Cadmium Complexes of Clodronate and Its Partial Ester Derivatives
• Authors of publication: Mervi Kontturi; Elina Laurila; Riikka Mattsson; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2400 - 2406
• a: 7.0256 ± 0.0002 Å
• b: 9.5328 ± 0.0003 Å
• c: 14.3501 ± 0.0003 Å
• α: 75.735 ± 0.001°
• β: 83.738 ± 0.002°
• γ: 71.109 ± 0.002°
• Cell volume: 880.82 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No