Information card for entry 7018428

Structure parameters

• Common name: catena-(bis(mu!3$-Benzene-1,3,5-tricarboxylato-O,O',O'')- tris((3-methyl-1, 3,5,8,12-penta-azacyclotetradecane)-nickel(ii)) decahydrate)
• Chemical name: catena-(bis(μ~3~-Benzene-1,3,5-tricarboxylato-O,O',O'')-tris((3-methyl-1, 3,5,8,12-penta-azacyclotetradecane)-nickel(ii)) decahydrate)
• Formula: C48 H101.5 N15 Ni3 O22.25
• Calculated formula: C48 H81 N15 Ni3 O22.3
• 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: 9.2825 ± 0.0007 Å
• b: 27.248 ± 0.002 Å
• c: 16.1584 ± 0.0011 Å
• α: 90°
• β: 98.808 ± 0.004°
• γ: 90°
• Cell volume: 4038.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1456
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.3133
• Weighted residual factors for all reflections included in the refinement: 0.3195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No