Information card for entry 8102771

Structure parameters

• Common name: [μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(24),- 9(25),10,12,21,23-hexaene-25,26-diol]dinickel(II) hydrate ‒1,3,5-benzene tricarboxylic acid ‒ water(1:1.5) [Ni~4~(C~24~H~34~N~4~O~2~)~2~] (C~9~H~6~O~6~)~2~(H~2~O)~4~ ? 3H~2~O
• Chemical name: [μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(24),- 9(25),10,12,21,23-hexaene-25,26-diol]dinickel(II) hydrate ‒1,3,5-benzene tricarboxylic acid ‒ water(1:1.5) [Ni~4~(C~24~H~34~N~4~O~2~)~2~] (C~9~H~6~O~6~)~2~(H~2~O)~4~ ? 3H~2~O
• Formula: C66 H90 N8 Ni4 O23
• Calculated formula: C66 H90 N8 Ni4 O23
• Title of publication: Crystal structure of diaqua[m-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.19,13]tetracosa-1(24),9(25),10,12,21,23-hexaene-25,26-diol]-(hydrogen 1,3,5-benzenetricarboxylato)dinickel(II) sesquihydrate, Ni2(H2O)2(C24H34N4O2)(C9H4O6) · 1.5H2O
• Authors of publication: Huan-Huan Chen; Ying-Ying Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 524
• a: 10.531 ± 0.005 Å
• b: 20.032 ± 0.005 Å
• c: 17.057 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.778 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3523 ± 2 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: 0.0835
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No