Information card for entry 7211347

Structure parameters

• Common name: Ca(H2alend).H2O
• Formula: C4 H13 Ca N O8 P2
• Calculated formula: C4 H11 Ca N O8 P2
• Title of publication: A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?
• Authors of publication: Alvarez, Elsa; Marquez, Alfonso Garcia; Devic, Thomas; Steunou, Nathalie; Serre, Christian; Bonhomme, Christian; Gervais, Christel; Izquierdo-Barba, Isabel; Vallet-Regi, Maria; Laurencin, Danielle; Mauri, Francesco; Horcajada, Patricia
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 9899
• a: 5.832 ± 0.001 Å
• b: 13.649 ± 0.002 Å
• c: 13.79 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.235
• Weighted residual factors for all reflections included in the refinement: 0.2476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No