Information card for entry 4307630

Structure parameters

• Formula: C27 H20 Cl3 Cu N3 O3
• Calculated formula: C27 H18 Cl3 Cu N3 O3
• Title of publication: Two Cu2 and Zn2 Metallamacrocycles Featuring a Novel Extended π-Conjugated Carbazole Bridge
• Authors of publication: Alok Ranjan Paital; A-Qing Wu; Guo-Cong Guo; Guillem Aromí; Jordi Ribas-Ariño; Debashis Ray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2947 - 2949
• a: 10.5504 ± 0.0005 Å
• b: 11.837 Å
• c: 11.9253 ± 0.0001 Å
• α: 78.153 ± 0.019°
• β: 68.288 ± 0.014°
• γ: 65.79 ± 0.015°
• Cell volume: 1259.42 ± 0.19 ų
• Cell temperature: 3273 ± 2 K
• Ambient diffraction temperature: 3273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No