Information card for entry 7004505

Structure parameters

• Formula: C12 H35 N12 O5.5 P2 Pt
• Calculated formula: C12 H35 N12 O5.5 P2 Pt
• SMILES: N(=N#N)[Pt](N=N#N)([P]12CN3CN(C1)CN(C2)C3)[P]12CN3CN(C1)CN(C2)C3.O.O.O.O.O.O
• Title of publication: New water-soluble azido- and derived tetrazolato-platinum(ii) complexes with PTA. Easy metal-mediated synthesis and isolation of 5-substituted tetrazoles
• Authors of publication: Smoleński, Piotr; Mukhopadhyay, Suman; Guedes da Silva, M. Fátima C.; Charmier, M. Adília Januário; Pombeiro, Armando J. L.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6546 - 6555
• a: 27.079 ± 0.007 Å
• b: 9.283 ± 0.003 Å
• c: 18.982 ± 0.005 Å
• α: 90°
• β: 101.845 ± 0.016°
• γ: 90°
• Cell volume: 4670 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No