Information card for entry 8106051

Structure parameters

• Formula: C16 H13 Br Co N4 O4
• Calculated formula: C16 H13 Br Co N4 O4
• Title of publication: Crystal structure of catena-(μ3-5-bromoisophthatato-κO,O′: O′′,O′′′′)-(1,2-bis(imidazol-1-yl)ethane-κN:N′)cobalt(II), C16H13CoN4O4Br
• Authors of publication: Han, Min-Le; Wang, San-Tai; Li, Zhong-Qi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 79 - 81
• a: 16.921 ± 0.002 Å
• b: 19.211 ± 0.002 Å
• c: 10.2928 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3345.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No