Information card for entry 4082038

Structure parameters

• Formula: C27 H38 Cl N4 O Rh
• Calculated formula: C27 H38 Cl N4 O Rh
• SMILES: [Rh]12(Cl)([N](C)(Cc3c(N4C=1N(N=C4c1ccccc1)C(C)(C)C)cccc3)C)[CH2]=[CH2]2.C1OCCC1
• Title of publication: Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes
• Authors of publication: Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7234
• a: 9.555 ± 0.0006 Å
• b: 17.7281 ± 0.001 Å
• c: 15.681 ± 0.0009 Å
• α: 90°
• β: 94.824 ± 0.004°
• γ: 90°
• Cell volume: 2646.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No