Information card for entry 4312731

Structure parameters

• Formula: C32 H24 Cd2 Cl2 N10
• Calculated formula: C32 H24 Cd2 Cl2 N10
• SMILES: [Cd]123(Cl)[N]4([Cd]56(Cl)(N(c7ccccc7[N]5=Nc5[n]6cccc5)c5[n]1cccc5)[n]1c4cccc1)c1c([N]3=Nc3[n]2cccc3)cccc1
• Title of publication: Blue Dimetallic Complexes of Two Heavy Metal Ions CdII and HgII with an Extended Nitrogen Donor Ligand. Preparation, Spectral Characterization, and Crystallographic Studies
• Authors of publication: Srijit Das; Chen-Hsiung Hung; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8592 - 8597
• a: 11.6626 ± 0.0007 Å
• b: 14.5023 ± 0.0008 Å
• c: 19.3361 ± 0.0011 Å
• α: 90°
• β: 93.091 ± 0.001°
• γ: 90°
• Cell volume: 3265.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No