Information card for entry 4341614

Structure parameters

• Formula: C28 H36 Cr2 N8 O8
• Calculated formula: C28 H36 Cr2 N8 O8
• SMILES: C1(C)=[O][Cr]234([O]=C(C)O[Cr]4(O1)([O]=C(C)O3)([O]=C(C)O2)[n]1c(/C=C/c2nccn2C)n(cc1)C)[n]1c(/C=C/c2nccn2C)n(cc1)C
• Title of publication: Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand.
• Authors of publication: Fritsch, Nico; Wick, Christian R.; Waidmann, Thomas; Dral, Pavlo O.; Tucher, Johannes; Heinemann, Frank W.; Shubina, Tatyana E.; Clark, Timothy; Burzlaff, Nicolai
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141113134903008
• a: 8.2265 ± 0.0006 Å
• b: 18.7004 ± 0.0013 Å
• c: 20.3297 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3127.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No