Information card for entry 7004085

Structure parameters

• Formula: C66 H58 K4 N14 Ni O27
• Calculated formula: C66 H58 K4 N14 Ni O27
• Title of publication: Structural diversity in the first metal complexes of 2,5-dicarboxamidopyrroles and 2,5-dicarbothioamidopyrroles
• Authors of publication: Bates, Gareth W.; Gale, Philip A.; Light, Mark E.; Ogden, Mark I.; Warriner, Colin N.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 31
• Pages of publication: 4106 - 4112
• a: 15.602 ± 0.001 Å
• b: 15.602 ± 0.001 Å
• c: 15.997 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3894 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No