Information card for entry 4065335

Structure parameters

• Formula: C33 H36 B F4 N4 O3 Rh
• Calculated formula: C33 H36 B F4 N4 O3 Rh
• SMILES: [Rh]1([n]2ccc(OC)cc2c2[n]1ccc(OC)c2)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C.O=C(C)C.[B](F)(F)(F)[F-]
• Title of publication: Aggregation and DNA Intercalation Properties of Di(isocyano) Rhodium(I) Diimine Complexes
• Authors of publication: Lo, Larry Tso-Lun; Chu, Wing-Kin; Tam, Chun-Yat; Yiu, Shek-Man; Ko, Chi-Chiu; Chiu, Sung-Kay
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5873
• a: 8.1806 ± 0.00013 Å
• b: 12.82265 ± 0.00019 Å
• c: 31.1555 ± 0.0004 Å
• α: 90°
• β: 91.7411 ± 0.0013°
• γ: 90°
• Cell volume: 3266.61 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No