Information card for entry 4307289

Structure parameters

• Formula: C H4 Ni O4 P
• Calculated formula: C H4 Ni O4 P
• Title of publication: Inorganic-Organic Framework Structures; M(II) Ethylenediphosphonates (M = Co, Ni, Mn) and a Mn(II) Ethylenediphosphonato-phenanthroline
• Authors of publication: Crystal A. Merrill; Anthony K. Cheetham
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 278 - 284
• a: 5.5807 ± 0.0011 Å
• b: 4.7205 ± 0.0009 Å
• c: 15.25 ± 0.003 Å
• α: 90°
• β: 98.55 ± 0.03°
• γ: 90°
• Cell volume: 397.28 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No