Information card for entry 2243407

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-4,4'-(diphenylsilanediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>'] sesquihydrate]
• Formula: C72 H90 N8 Ni2 O11 Si2
• Calculated formula: C72 H90 N8 Ni2 O11 Si2
• Title of publication: Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]^2+^ cation and the dianion of diphenylsilanediylbis(4-benzoic acid)
• Authors of publication: Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 929 - 932
• a: 25.39 ± 0.004 Å
• b: 7.3865 ± 0.001 Å
• c: 18.2424 ± 0.0016 Å
• α: 90°
• β: 98.161 ± 0.01°
• γ: 90°
• Cell volume: 3386.6 ± 0.8 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.1131
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes