Information card for entry 7004783

Structure parameters

• Formula: C16 H36 Co2 N8 O19 P2
• Calculated formula: C16 H6 Co2 N8 O18.98 P2
• Title of publication: Spin canting in an unprecedented three-dimensional pyrophosphate- and 2,2′-bipyrimidine-bridged cobalt(ii) framework
• Authors of publication: Marino, Nadia; Mastropietro, Teresa F.; Armentano, Donatella; De Munno, Giovanni; Doyle, Robert P.; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 5152 - 5154
• a: 11.4271 ± 0.001 Å
• b: 16.4123 ± 0.001 Å
• c: 16.3599 ± 0.001 Å
• α: 90°
• β: 99.629 ± 0.003°
• γ: 90°
• Cell volume: 3025 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No