Information card for entry 7011907

Structure parameters

• Common name: 02nts02
• Formula: C70 H63 B F24 N3 Rh Si
• Calculated formula: C70 H63 B F24 N3 Rh Si
• SMILES: C1=2N(C=CN1c1cccc([n]1[Rh]1342[CH]2=[CH]1CC[CH]3=[CH]4CC2)[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C.C(c1cc(cc(c1)C(F)(F)F)[B-](c1cc(C(F)(F)F)cc(c1)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(C(F)(F)F)cc(c1)C(F)(F)F)(F)(F)F.c1cccc(c1)C
• Title of publication: C???H activation with N-heterocyclic carbene complexes of iridium and rhodium
• Authors of publication: Danopoulos, Andreas A.; Winston, Scott; Hursthouse, Michael B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3090
• a: 13.141 ± 0.0004 Å
• b: 16.6819 ± 0.0004 Å
• c: 18.5852 ± 0.0007 Å
• α: 72.274 ± 0.001°
• β: 69.556 ± 0.001°
• γ: 69.84 ± 0.002°
• Cell volume: 3504.33 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 396 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.189
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No