Information card for entry 7025635

Structure parameters

• Formula: C15 H10 Cl2 K2 O9 P2
• Calculated formula: C15 H10 Cl2 K2 O9 P2
• SMILES: [K+].[K+].ClC(Cl)(P(=O)([O-])OC(=O)c1ccccc1)P(=O)([O-])OC(=O)c1ccccc1.O
• Title of publication: Alkaline and alkaline earth metal complexes of dianhydride derivatives of clodronate and their hydrolysis products.
• Authors of publication: Kunnas-Hiltunen, Susan; Haukka, Matti; Vepsäläinen, Jouko; Ahlgrén, Markku
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5310 - 5318
• a: 6.7201 ± 0.0002 Å
• b: 10.4562 ± 0.0005 Å
• c: 16.058 ± 0.0008 Å
• α: 72.827 ± 0.002°
• β: 84.164 ± 0.003°
• γ: 71.395 ± 0.003°
• Cell volume: 1021.67 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No