Information card for entry 7030319

Structure parameters

• Formula: C82 H110 Cl2 Cr2 N8
• Calculated formula: C82 H110 Cl2 Cr2 N8
• SMILES: C12N(C=CN1CC(=N\c1c(cccc1C(C)C)C(C)C)/N([Cr]1=2[Cl][Cr]2(=C3N(C=CN3C/C(=N\c3c(cccc3C(C)C)C(C)C)N2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Cl]1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.
• Authors of publication: Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12558 - 12567
• a: 12.2847 ± 0.0009 Å
• b: 15.9373 ± 0.0011 Å
• c: 22.3137 ± 0.0013 Å
• α: 90°
• β: 119.069 ± 0.003°
• γ: 90°
• Cell volume: 3818.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1384
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No