Information card for entry 8105852

Structure parameters

• Formula: C9 H8 Cu N4 O3
• Calculated formula: C9 H8 Cu N4 O3
• Title of publication: Crystal structure of catena-poly[(μ2-azido-κ2 N:N)(μ2-4-cyanobenzoato-κ2 O:O′)-(μ2-methanol-κ2 O:O)copper(II)], C9H8CuN4O3
• Authors of publication: Li, Dong; Deng, Ping-Ping; Wu, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 791 - 792
• a: 6.3568 ± 0.0004 Å
• b: 8.8323 ± 0.0006 Å
• c: 10.8584 ± 0.0007 Å
• α: 103.891 ± 0.001°
• β: 94.868 ± 0.001°
• γ: 105.453 ± 0.001°
• Cell volume: 563.16 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No