Information card for entry 4508633

Structure parameters

• Formula: C68 H84 Br Cd4 N8 Na O30
• Calculated formula: C68 H48 Br Cd4 N8 Na O30
• SMILES: [Cd]123([N]45CC(NC6C4)NC(N6)C5)([OH2])[O]=C(O1)c1c(cccc1)c1c(cccc1)C1=[O][Cd]45([OH2])([OH2])(O1)[O]=C(O4)c1c(cccc1)c1c(cccc1)C1=[O][Cd]4([N]67CC(NC8C6)NC(N8)C7)([OH2])(O1)[O]=C(O4)c1c(cccc1)c1c(cccc1)C1=[O][Cd]4([OH2])([OH2])(O1)([O]=C(O4)c1c(cccc1)c1c(cccc1)C(=[O]2)O3)[Br]5.[Na+].O.O.O.O.O.O.O.O
• Title of publication: Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes
• Authors of publication: Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1351
• a: 25.1011 ± 0.0001 Å
• b: 11.475 ± 0.0001 Å
• c: 26.559 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7649.92 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No