Information card for entry 7004089

Structure parameters

• Formula: C28 H44 Cl4 Co N6 O6
• Calculated formula: C28 H44 Cl4 Co N6 O6
• SMILES: CCCCNC(=O)c1c(c(c2n1[Co]1(n3c(C(=O)NCCCC)c(c(c3C(NCCCC)=[O]1)Cl)Cl)([O]=C2NCCCC)([OH2])[OH2])Cl)Cl
• 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: 15.309 ± 0.0006 Å
• b: 21.03 ± 0.0014 Å
• c: 13.4079 ± 0.0006 Å
• α: 90°
• β: 124.112 ± 0.003°
• γ: 90°
• Cell volume: 3573.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No