Information card for entry 7010847

Structure parameters

• Formula: C9 H21 Cl2 N3 O Pt
• Calculated formula: C9 H21 Cl2 N3 O Pt
• SMILES: [Pt]1(Cl)(Cl)[NH2][C@@H]2C[C@H]([NH2]1)CCC2.O=CN(C)C
• Title of publication: Isomer formation in the binding of [PtCl2(cis-cyclohexane-1,3-diamine)] to oligonucleotides and the X-ray crystal structure of [PtCl2(cis-cyclohexane-1,3-diamine)]·dimethylformamide†
• Authors of publication: Cham, S. Tsuey; Diakos, Connie I.; Ellis, Leanne T.; Fenton, Ronald R.; Munk, Vivienne P.; Messerle, Barbara A.; Hambley, Trevor W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2769
• a: 7.69 ± 0.001 Å
• b: 8.358 ± 0.002 Å
• c: 12.149 ± 0.004 Å
• α: 70 ± 0.02°
• β: 80.87 ± 0.02°
• γ: 83.58 ± 0.02°
• Cell volume: 723.1 ± 0.3 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0232
• Goodness-of-fit parameter for all reflections: 2.758
• Goodness-of-fit parameter for significantly intense reflections: 2.758
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No