Information card for entry 4321041

Structure parameters

• Chemical name: [tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a] pyrimidinate)diplatinum(III)]dichloride
• Formula: C28 H48 Cl2 N12 Pt2
• Calculated formula: C28 H48 Cl2 N12 Pt2
• SMILES: C12N3CCCN1CCC[N]=2[Pt]124([Pt]3(Cl)([N]3=C5N4CCCN5CCC3)(N3C4=[N]1CCCN4CCC3)[N]1=C3N2CCCN3CCC1)Cl
• Title of publication: Completion of the Series of M2(hpp)4Cl2 Compounds from W to Pt: The W, Os, and Pt Compounds
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; James P. Donahue; Carlos A. Murillo; Daren J. Timmons
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2581 - 2584
• a: 10.4935 ± 0.0006 Å
• b: 10.4935 ± 0.0006 Å
• c: 14.6146 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1609.27 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.1081
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No