Information card for entry 4321791

Structure parameters

• Common name: syn-ReO(PACAH2) 0.67H2O
• Formula: C9 H16.33 N2 O4.67 Re S2
• Calculated formula: C9 H16.3333 N2 O4.66667 Re S2
• SMILES: [Re]123([NH](CCS2)CC(=O)N1[C@H](C(=O)O)C(S3)(C)C)=O.O
• Title of publication: New Steric Hindrance Approach Employing the Hybrid Ligand 2-Aminomethylpiperidine for Diminishing Dynamic Motion Problems of Platinum Anticancer Drug Adducts Containing Guanine Derivatives
• Authors of publication: Hing C. Wong; Raymond Coogan; Francesco P. Intini; Giovanni Natile; Luigi G. Marzilli
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 777 - 787
• a: 10.6811 ± 0.0002 Å
• b: 10.9709 ± 0.0002 Å
• c: 37.5134 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4395.87 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0443
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No