Information card for entry 2240113

Structure parameters

• Chemical name: Dichlorido[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)imidazolido-κ<i>N</i>]bis(tri-<i>n</i>-butylphosphane-κ<i>P</i>)rhodium(III)
• Formula: C30 H59 Cl2 N4 P2 Rh
• Calculated formula: C30 H59 Cl2 N4 P2 Rh
• SMILES: [Rh]1(n2c(ncc2)c2[n]1cc[nH]2)(Cl)(Cl)([P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC
• Title of publication: Crystal structure of dichlorido[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)imidazolato-κ<i>N</i>]bis(tri-<i>n</i>-butylphosphane-κ<i>P</i>)rhodium(III)
• Authors of publication: Jin-Long; Ebihara, Masahiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 362 - 364
• a: 11.969 ± 0.002 Å
• b: 18.725 ± 0.003 Å
• c: 16.894 ± 0.003 Å
• α: 90°
• β: 97.233 ± 0.003°
• γ: 90°
• Cell volume: 3756.1 ± 1.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0431
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes