Information card for entry 2021079

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κ<i>O</i>)aquacobalt(II)]-bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']] 4.75-hydrate]
• Formula: C36 H41.5 Br3 Co N9 O9.75
• Calculated formula: C36 H41.5 Br3 Co N9 O9.75
• Title of publication: Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization
• Authors of publication: Su, Chang-Kai; Zhang, Kou-Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• Pages of publication: 504 - 512
• a: 10.6773 ± 0.0015 Å
• b: 13.0608 ± 0.0017 Å
• c: 16.356 ± 0.002 Å
• α: 71.118 ± 0.004°
• β: 87.07 ± 0.004°
• γ: 80.73 ± 0.004°
• Cell volume: 2130 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes