Information card for entry 8106338

Structure parameters

• Formula: C16 H18 Co N6 O7
• Calculated formula: C16 H18 Co N6 O7
• SMILES: C1(=O)c2cccc3C(=O)O[Co]([n]23)(O1)([OH2])([OH2])[OH2].c1ccccc1c1nc(nc(n1)N)N
• Title of publication: Crystal structure of triaqua-(pyridine-2,6-dicarboxylato-κ3 O,N,O′)cobalt(II) – 6-phenyl-1,3,5-triazine-2,4-diamine (1/1), C16H18CoN6O7
• Authors of publication: Ren-Shu, Wang; Jing, Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 901 - 902
• a: 12.682 ± 0.0011 Å
• b: 7.9486 ± 0.0006 Å
• c: 19.6429 ± 0.0015 Å
• α: 90°
• β: 103.057 ± 0.003°
• γ: 90°
• Cell volume: 1928.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No