Information card for entry 7702993

Structure parameters

• Formula: C100 H124 Br2 Co N10 O3
• Calculated formula: C100 H124 Br2 Co N10 O3
• Title of publication: Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.
• Authors of publication: Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1249 - 1264
• a: 13.5981 ± 0.0004 Å
• b: 18.2954 ± 0.0005 Å
• c: 21.4975 ± 0.0006 Å
• α: 67.463 ± 0.002°
• β: 87.059 ± 0.002°
• γ: 72.737 ± 0.002°
• Cell volume: 4705.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0502
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No