Information card for entry 8106226

Structure parameters

• Formula: C24 H24 Cl N7 O8 Zn
• Calculated formula: C24 H24 Cl N7 O8 Zn
• SMILES: [Zn]12([n]3c([nH]c4ccccc34)C[NH]2Cc2[n]1c1c([nH]2)cccc1)(OC(=O)/C=C\C(=O)O)[N]#CC.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Crystal structure of acetonitrile{bis(2-benzimidazolylmethyl)amine-κ3 N,N′,N′′}-{maleato-κO}zinc(II) perchlorate - acetonitrile (1/1), C24H24ClN7O8Zn
• Authors of publication: Chen, Jiang-Li; Wang, Chen; Su, Guo-Hua; Nie, Feng-Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 593 - 595
• a: 10.0834 ± 0.0007 Å
• b: 10.8269 ± 0.0007 Å
• c: 13.1958 ± 0.0008 Å
• α: 77.658 ± 0.005°
• β: 77.135 ± 0.005°
• γ: 87.797 ± 0.005°
• Cell volume: 1371.93 ± 0.16 ų
• Cell temperature: 105.6 K
• Ambient diffraction temperature: 105.6 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No