Information card for entry 4313534

Structure parameters

• Formula: C16 H29 Cl3 N7 O2 Rh S2
• Calculated formula: C16 H29 Cl3 N7 O2 Rh S2
• SMILES: [Rh]12(Cl)(Cl)(Cl)[n]3cnc(c4c3n(cn4)CC[S]1CC[S]2C)N.O=CN(C)C.O=CN(C)C
• Title of publication: Minor Groove Site Coordination of Adenine by Platinum Group Metal Ions: Effects on Basicity, Base Pairing, and Electronic Structure
• Authors of publication: David Amantia; Clayton Price; Michelle A. Shipman; Mark R. J. Elsegood; William Clegg; Andrew Houlton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3047 - 3056
• a: 15.9976 ± 0.0009 Å
• b: 8.696 ± 0.0005 Å
• c: 18.8943 ± 0.0011 Å
• α: 90°
• β: 109.213 ± 0.002°
• γ: 90°
• Cell volume: 2482.1 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No