Information card for entry 7018429

Structure parameters

• Common name: catena-(bis(mu!3$-(4,4',4''-benzene-1,3,5-triyl-tribenzoato)- O,O',O'')-tris((3-methyl-1,3,5,8,12-penta-azacyclotetradecane)- nickel(ii)) hexahydrate)
• Chemical name: catena-(bis(μ~3~-(4,4',4''-benzene-1,3,5-triyl-tribenzoato)-O,O',O'')- tris((3-methyl-1,3,5,8,12-penta-azacyclotetradecane)-nickel(ii)) hexahydrate)
• Formula: C84 H117 N15 Ni3 O18
• Calculated formula: C84 H117 N15 Ni3 O18
• Title of publication: Catenation control in the two-dimensional coordination polymers based on tritopic carboxylate linkers and azamacrocyclic nickel(ii) complexes.
• Authors of publication: Lampeka, Yaroslaw D.; Tsymbal, Liudmyla V.; Barna, Andrij V.; Shuĺga, Yulija L; Shova, Sergiu; Arion, Vladimir B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4118 - 4125
• a: 7.3051 ± 0.0003 Å
• b: 20.3203 ± 0.0008 Å
• c: 29.5008 ± 0.0018 Å
• α: 90°
• β: 92.816 ± 0.005°
• γ: 90°
• Cell volume: 4373.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No