Information card for entry 2017803

Structure parameters

• Chemical name: Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate
• Formula: C18 H24 Cl2 N6 O6 Zn2
• Calculated formula: C18 H24 Cl2 N6 O6 Zn2
• SMILES: C1(N[N]2[Zn]3([O]=1)([O](c1c(C=2)cccc1)[Zn]12([N](=Cc4c(cccc4)[O]32)NC(N)=[O]1)Cl)Cl)N.OC.CO
• Title of publication: Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate, with non-aromatic‒aromatic π‒π stacking and N—H···Cl—Zn hydrogen bonding
• Authors of publication: Wang, Jing-lin; Liu, Bin; Yang, Bin-sheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m280 - m282
• a: 6.9061 ± 0.0008 Å
• b: 8.3585 ± 0.0012 Å
• c: 11.7666 ± 0.0016 Å
• α: 75.066 ± 0.001°
• β: 80.565 ± 0.002°
• γ: 76.003 ± 0.001°
• Cell volume: 633.04 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes