Information card for entry 2016811

Structure parameters

• Chemical name: Tetra-μ-acetato-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2- ylidene]rhodium(II)](Rh—Rh) tetrahydrofuran tetrasolvate
• Formula: C78 H116 N4 O12 Rh2
• Calculated formula: C78 H116 N4 O12 Rh2
• SMILES: C1(C)=[O][Rh]234(=C5N(C=CN5c5c(cccc5C(C)C)C(C)C)c5c(cccc5C(C)C)C(C)C)[O]=C(C)O[Rh]4(=C4N(C=CN4c4c(cccc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)(O1)([O]=C(C)O3)[O]=C(C)O2.C1OCCC1.C1CCCO1.C1CCCO1.C1CCCO1
• Title of publication: Tetra-μ-acetato-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]rhodium(II)}(<i>Rh</i>—<i>Rh</i>) tetrahydrofuran tetrasolvate
• Authors of publication: André, Vânia; Duarte, M. Teresa; Trindade, Alexandre F.; Góis, Pedro M. P.; Afonso, Carlos A. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m345 - m348
• a: 10.509 ± 0.004 Å
• b: 33.708 ± 0.006 Å
• c: 11.967 ± 0.003 Å
• α: 90°
• β: 111.388 ± 0.006°
• γ: 90°
• Cell volume: 3947.2 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes