Information card for entry 4318370

Structure parameters

• Formula: C30.5 H37 Cu N7 Ni O3.5 S2
• Calculated formula: C30.5 H37 Cu N7 Ni O3.5 S2
• Title of publication: Site Specificity of Metal Ions in Heterodinuclear Complexes Derived from an "End-Off" Compartmental Ligand
• Authors of publication: Koji Abe; Kanako Matsufuji; Masaaki Ohba; Hisashi Ōkawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4461 - 4467
• a: 14.566 ± 0.003 Å
• b: 15.193 ± 0.002 Å
• c: 16.895 ± 0.002 Å
• α: 90°
• β: 100.69 ± 0.01°
• γ: 90°
• Cell volume: 3674 ± 1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No