Information card for entry 7702626

Structure parameters

• Formula: C52 H41 Cl2 Cu2 N9 O13
• Calculated formula: C52 H41 Cl2 Cu2 N9 O13
• Title of publication: Complex-formation reactions of Cu(ii) and Zn(ii) 2,2′-bipyridine and 1,10-phenanthroline complexes with bicarbonate. Identification of different carbonate coordination modes
• Authors of publication: Mao, Zong-Wan; Heinemann, Frank W.; Liehr, Günther; Eldik, Rudi van
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3652
• a: 11.44 ± 0.01 Å
• b: 21.57 ± 0.01 Å
• c: 20.26 ± 0.01 Å
• α: 90°
• β: 91.4 ± 0.1°
• γ: 90°
• Cell volume: 4998 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No