Information card for entry 4303131

Structure parameters

• Formula: C15 H33 F6 N7 O7 Pt S2
• Calculated formula: C15 H33 F6 N7 O7 Pt S2
• SMILES: [Pt]12([NH]=C(NC(=[NH]2)N2CCCCC2)N)[N](C)(C)CC[N]1(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Different Routes for Amination of Platinum(II)-Bound Cyanoguanidine
• Authors of publication: Alexander G. Tskhovrebov; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8678 - 8688
• a: 16.1325 ± 0.0003 Å
• b: 9.0097 ± 0.0001 Å
• c: 18.5102 ± 0.0004 Å
• α: 90°
• β: 90.23 ± 0.001°
• γ: 90°
• Cell volume: 2690.42 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No