Information card for entry 4330699

Structure parameters

• Common name: [Ni(SN3)-OH-Cu](ClO4)(0.5DMF)
• Formula: C31.5 H38.5 Cl Cu N6.5 Ni O7.5 S
• Calculated formula: C31.5 H38.5 Cl Cu N6.5 Ni O7.5 S
• Title of publication: Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features
• Authors of publication: Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11017 - 11029
• a: 11.1284 ± 0.0012 Å
• b: 19.205 ± 0.002 Å
• c: 15.8027 ± 0.0016 Å
• α: 90°
• β: 94.954 ± 0.002°
• γ: 90°
• Cell volume: 3364.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No