Information card for entry 2230606

Structure parameters

• Chemical name: Tris(1,10-phenanthroline)cadmium 3,3'-dicarboxy-4,4'‒diazenediyldibenzoate‒ 4,4'-diazenediyldiphthalic acid‒methanol (1/0.5/1)
• Formula: C61 H41 Cd N9 O13
• Calculated formula: C60 H37 Cd N9 O12
• Title of publication: Tris(1,10-phenanthroline)cadmium 3,3'-dicarboxy-4,4'-diazenediyldibenzoate‒4,4'-diazenediyldiphthalic acid‒methanol (1/0.5/1)
• Authors of publication: Wang, Jun; Lu, Lu; Wei-Ping, Wu; He, Xi-Yang; Tao, Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m867 - m868
• a: 13.6902 ± 0.0009 Å
• b: 13.7659 ± 0.0009 Å
• c: 16.9518 ± 0.0011 Å
• α: 79.022 ± 0.001°
• β: 73.492 ± 0.001°
• γ: 64.439 ± 0.001°
• Cell volume: 2754.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes