Information card for entry 7025632

Structure parameters

• Formula: C H10 Cl2 Na3 O11 P2
• Calculated formula: C H10 Cl2 Na3 O11 P2
• SMILES: ClC(Cl)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].O.O.O.O.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: 6.0326 ± 0.0012 Å
• b: 9.693 ± 0.0019 Å
• c: 11.51 ± 0.002 Å
• α: 93.31 ± 0.03°
• β: 91.63 ± 0.03°
• γ: 103.42 ± 0.03°
• Cell volume: 653 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No