Information card for entry 7011162

Structure parameters

• Formula: C38.75 H61.5 Cl9.5 N6 Ni2 O
• Calculated formula: C38.75 H59.25 Cl9.5 N6 Ni2 O
• Title of publication: Synthesis, characterisation and polymerisation of vinylbenzene-substituted triazacyclododecanes and their transition metal complexes
• Authors of publication: Long, Nicholas J.; Parker, David G.; Speyer, Paul R.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2142
• a: 18.8284 ± 0.0013 Å
• b: 28.2797 ± 0.0014 Å
• c: 38.356 ± 0.003 Å
• α: 90°
• β: 92.75 ± 0.006°
• γ: 90°
• Cell volume: 20400 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1265
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections: 0.2692
• Weighted residual factors for significantly intense reflections: 0.2239
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No