Information card for entry 8105734

Structure parameters

• Formula: C60 H56 Cl2 N12 Ni3 O6
• Calculated formula: C60 H56 Cl2 N12 Ni3 O6
• SMILES: [Ni]12([N]3[N]4[Ni]([n]5ccccc5)([n]5ccccc5)([n]5ccccc5)(OC=3CC)Oc3ccc(Cl)cc3C=4O1)([N]1[N]3[Ni]([n]4ccccc4)([n]4ccccc4)([n]4ccccc4)(OC=1CC)Oc1c(C=3O2)cc(Cl)cc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: The crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxidopropylidene)benzohydrazonato-κ5 N,O,O′:N′,O′′)-octakis(pyridine-κ1 N)trinickel(II) C60H56Cl2N12Ni3O6
• Authors of publication: Xin, Wang; Liguo, Yang; Yizhuo, Dong; Yanlin, Ye; Yifan, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 501 - 504
• a: 12.684 ± 0.005 Å
• b: 12.827 ± 0.005 Å
• c: 19.1 ± 0.007 Å
• α: 84.641 ± 0.004°
• β: 81.178 ± 0.004°
• γ: 85.471 ± 0.004°
• Cell volume: 3051 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0314
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No