Information card for entry 7012591

Structure parameters

• Formula: C12 H28 Co3 N2 O15 P2
• Calculated formula: C12 H18 Co3 N2 O15 P2
• Title of publication: Hydrothermal synthesis and crystal structure of two Co phosphonates containing trifunctional phosphonate anions: Co3(O3PCH2NH2CH2PO3)2 and Co3(O3PCH2-NC4H7-CO2)2·5H2O
• Authors of publication: Turner, Adele; Jaffrès, Paul-Alain; MacLean, Elizabeth J.; Villemin, Didier; McKee, Vickie; Hix, Gary B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1314
• a: 9.985 ± 0.002 Å
• b: 10.378 ± 0.003 Å
• c: 11.942 ± 0.003 Å
• α: 90.238 ± 0.005°
• β: 106.81 ± 0.005°
• γ: 111.346 ± 0.004°
• Cell volume: 1095 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 0 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No