Information card for entry 2218691

Structure parameters

• Chemical name: catena-Poly[[tripyridinenickel(II)]-μ-5-bromoisophthalato]
• Formula: C23 H18 Br N3 Ni O4
• Calculated formula: C23 H18 Br N3 Ni O4
• SMILES: Brc1cc(C(=O)[O-])cc(C2=[O][Ni]([n]3ccccc3)(O2)([n]2ccccc2)([n]2ccccc2)OC(=O)c2cc(Br)cc(C3=[O][Ni]([n]4ccccc4)(O3)([n]3ccccc3)[n]3ccccc3)c2)c1
• Title of publication: <i>catena</i>-Poly[[tripyridinenickel(II)]-μ-5-bromoisophthalato]
• Authors of publication: Liu, Lijun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m974
• a: 19.6621 ± 0.0006 Å
• b: 16.019 ± 0.0006 Å
• c: 14.8755 ± 0.0005 Å
• α: 90°
• β: 111.504 ± 0.002°
• γ: 90°
• Cell volume: 4359.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes