Information card for entry 4504411

Structure parameters

• Formula: C45 H29 Cd N9
• Calculated formula: C45 H29 Cd N9
• SMILES: c12ccc3=C(c4ccc5n4[Cd]4([n]13)([n]1ccccc1)[n]1c(=C5c3ccncc3)ccc1C(=c1ccc(=C2c2ccncc2)n41)c1ccncc1)c1ccncc1
• Title of publication: Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets
• Authors of publication: Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2576
• a: 13.615 ± 0.002 Å
• b: 18.578 ± 0.003 Å
• c: 14.846 ± 0.003 Å
• α: 90°
• β: 103.143 ± 0.003°
• γ: 90°
• Cell volume: 3656.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No