Information card for entry 8102540

Structure parameters

• Common name: [μ-11,23-Dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1 ^9,13^]-3,7,15,19-tetracyanomethyl tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diolato κ^8^N^3^,N^7^,O^25^,O^26^:N^15^,N^19^,O^25^,O^26^] -bis[(acetic-κ^2^O O')cadmium(II)] Cd2(C36H46N8O2)(CH3COO)2.0.8H2O
• Chemical name: [μ-11,23-Dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1 ^9,13^]-3,7,15,19-tetracyanomethyl tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diolato κ^8^N^3^,N^7^,O^25^,O^26^:N^15^,N^19^,O^25^,O^26^] -bis[(acetic-κ^2^O O')cadmium(II)] Cd2(C36H46N8O2)(CH3COO)2.0.8H2O
• Formula: C40 H52 Cd2 N8 O6.8
• Calculated formula: C40 H52 Cd2 N8 O6.8
• Title of publication: Crystal structure of [m-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.19,13]-3,7,15,19-tetracyanomethyltetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diolato-k8N3,N7,O25,O26:N15,N19,O25,O26]-bis[(acetato-k2O,O')cadmium(II)] hydrate, Cd2(C36H46N8O2)(CH3COO)2 · 0.8H2O
• Authors of publication: Huan-Huan Chen; Dao-Cheng Xia; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 713
• a: 31.459 ± 0.013 Å
• b: 31.459 ± 0.013 Å
• c: 12.33 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10568 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No