Information card for entry 7027959

Structure parameters

• Formula: C29 H50 N3 O4 Rh
• Calculated formula: C29 H50 N3 O4 Rh
• Title of publication: Orotate complexes of rhodium(I) and iridium(I): effect of coligand, counter ion, and solvent of crystallisation on association via complementary hydrogen bonding
• Authors of publication: James, Stuart L.; Mingos, D. Michael P.; Xu, Xingling; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 8
• Pages of publication: 1335
• a: 20.2726 ± 0.0005 Å
• b: 20.2726 ± 0.0005 Å
• c: 30.435 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12508.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.1296
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No