Information card for entry 2227762

Structure parameters

• Chemical name: [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane- 1,4-diamine]bis[diacetatocadmium(II)] nonahydrate
• Formula: C36 H62 Cd2 N6 O17
• Calculated formula: C36 H62 Cd2 N6 O17
• SMILES: C1[N]2(Cc3cccc[n]3[Cd]32([n]2ccccc12)([O]=C(O3)C)OC(=O)C)CCCC[N]12Cc3cccc[n]3[Cd]32([n]2c(C1)cccc2)([O]=C(O3)C)OC(=O)C.O.O.O.O.O.O.O.O.O
• Title of publication: [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane-1,4-diamine]bis[diacetatocadmium(II)] nonahydrate
• Authors of publication: Bartholomä, Mark; Cheung, Hoi; Zubieta, Jon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1195 - m1196
• a: 15.968 ± 0.0017 Å
• b: 11.432 ± 0.0012 Å
• c: 26.451 ± 0.003 Å
• α: 90°
• β: 100.127 ± 0.002°
• γ: 90°
• Cell volume: 4753.3 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes