Information card for entry 8105679

Structure parameters

• Formula: C33 H28 Cu N2 O7
• Calculated formula: C33 H28 Cu N2 O7
• Title of publication: The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2 O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14
• Authors of publication: Ren-Shu, Wang; Jing, Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 453 - 454
• a: 11.0791 ± 0.0005 Å
• b: 11.5747 ± 0.0005 Å
• c: 12.4037 ± 0.0006 Å
• α: 77.782 ± 0.004°
• β: 86.304 ± 0.004°
• γ: 69.491 ± 0.004°
• Cell volume: 1455.97 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0469
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No