Information card for entry 7029190

Structure parameters

• Formula: C24 H24 Cl Fe N2 O2 Rh
• Calculated formula: C24 H24 Cl Fe N2 O2 Rh
• SMILES: C1(=[Rh](C#[O])(C#[O])Cl)N([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]7[cH]8[cH]9[cH]32)N1CC(C)(C)C)c1ccccc1
• Title of publication: Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.
• Authors of publication: Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3508 - 3520
• a: 12.8531 ± 0.0008 Å
• b: 18.9358 ± 0.0007 Å
• c: 20.6272 ± 0.0011 Å
• α: 90°
• β: 104.753 ± 0.004°
• γ: 90°
• Cell volume: 4854.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No