Information card for entry 8106876

Structure parameters

• Formula: C22 H18 Co N12 O2
• Calculated formula: C22 H18 Co N12 O2
• Title of publication: Crystal structure of trans-diaqua-bis(3-(pyrazin-2-yl)-5-(pyridin-4-yl)1,2,4-triazol-1-ido-κ2 N,N′)-cobalt(II),C22H18CoN12O2
• Authors of publication: Liu, Jing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 365 - 367
• a: 10.613 ± 0.008 Å
• b: 12.412 ± 0.009 Å
• c: 9.217 ± 0.007 Å
• α: 90°
• β: 113.821 ± 0.009°
• γ: 90°
• Cell volume: 1110.7 ± 1.4 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: 0.0544
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No