Information card for entry 8106392

Structure parameters

• Formula: C62 H96 N10 O28 Zn4
• Calculated formula: C62 H96 N10 O28 Zn4
• Title of publication: Crystal structure of tetramethylammonium bis(acetato-κ1 O)-tetrakis(μ3-3-((hydroxyimino)methyl)-5-methoxy-2-oxidobenzoate-κ5 O,O′:O′,N:O′′)tetrazinc(II) — N,N′-dimethylformamide — water (1/2/2), C62H96Zn4N10O28
• Authors of publication: Niu, Xue L.; Yang, Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 1039 - 1041
• a: 12.1072 ± 0.0011 Å
• b: 27.878 ± 0.003 Å
• c: 11.4494 ± 0.0009 Å
• α: 90°
• β: 102.011 ± 0.002°
• γ: 90°
• Cell volume: 3779.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1092
• 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