Information card for entry 2211639

Structure parameters

• Chemical name: Aquachlorobis(1,10-phenanthroline)nickel(II) chloride thioacetamide solvate
• Formula: C26 H23 Cl2 N5 Ni O S
• Calculated formula: C26 H23 Cl2 N5 Ni O S
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Ni]2(Cl)([n]4c5c6c(ccc[n]26)ccc5ccc4)([n]13)[OH2].C(=S)(C)N.[Cl-]
• Title of publication: Aquachlorobis(1,10-phenanthroline)nickel(II) chloride thioacetamide solvate
• Authors of publication: H. Zhong; X.-R. Zeng; Q.-Y. Luo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3429 - m3431
• a: 9.7697 ± 0.0005 Å
• b: 11.2981 ± 0.001 Å
• c: 12.7974 ± 0.0015 Å
• α: 64.193 ± 0.004°
• β: 87.07 ± 0.003°
• γ: 78.989 ± 0.004°
• Cell volume: 1247.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes