Information card for entry 4314000

Structure parameters

• Formula: C32 H24 Cl2 N10 Zn2
• Calculated formula: C32 H24 Cl2 N10 Zn2
• SMILES: c1cccc2[n]1[Zn]13([N](c4ccccc4N1c1[n](cccc1)[Zn]14([n]5ccccc5N=[N]1c1ccccc1N4c1[n]3cccc1)Cl)=N2)Cl
• Title of publication: Syntheses and Structures of Zwitterionic Indium(III) and Di-zinc Compounds of an Extended Nitrogenous Ligand. Examples of Unusually Long Wavelength Transitions in d10-Metal Complexes
• 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: 5153 - 5157
• a: 29.419 ± 0.002 Å
• b: 11.8121 ± 0.0008 Å
• c: 17.7672 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6174.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No