Information card for entry 7030458

Structure parameters

• Formula: C34 H58 Cl2 Cr2
• Calculated formula: C34 H58 Cl2 Cr2
• SMILES: [Cr]12345([Cl][Cr]6789([Cl]1)[c]1([c]6([cH]7[c]8([cH]91)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([c]2([cH]3[c]4([cH]51)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation.
• Authors of publication: Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9052 - 9060
• a: 10.2638 ± 0.0004 Å
• b: 12.3091 ± 0.0006 Å
• c: 13.8743 ± 0.0006 Å
• α: 89.431 ± 0.004°
• β: 88.919 ± 0.004°
• γ: 89.248 ± 0.004°
• Cell volume: 1752.31 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No