Information card for entry 4317474

Structure parameters

• Formula: C28 H38 Br2 Cl2 Cu N6 Ni O12
• Calculated formula: C28 H38 Br2 Cl2 Cu N6 Ni O12
• Title of publication: Coordination-Position Isomeric MIICuIIand CuIIMII (M = Co, Ni, Zn) Complexes Derived from Macrocyclic Compartmental Ligands
• Authors of publication: Masami Yonemura; Keisuke Arimura; Koji Inoue; Naoki Usuki; Masaaki Ohba; Hisashi Ōkawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 582 - 589
• a: 11.26 ± 0.002 Å
• b: 16.359 ± 0.006 Å
• c: 10.853 ± 0.004 Å
• α: 96.98 ± 0.03°
• β: 94.36 ± 0.02°
• γ: 75.2 ± 0.02°
• Cell volume: 1916.4 ± 1.1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 3.87
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No