Information card for entry 1512780

Structure parameters

• Formula: C18 H12 Co3 N15 O4 P
• Calculated formula: C18 H12 Co3 N15 O4 P
• Title of publication: Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system
• Authors of publication: Kari Darling; Jon Zubieta
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 512 - 518
• a: 22.202 ± 0.002 Å
• b: 22.202 ± 0.002 Å
• c: 4.3536 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1858.5 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No