Information card for entry 7030454

Structure parameters

• Formula: C24 H40 Cr N2
• Calculated formula: C24 H40 Cr N2
• SMILES: n12[c]3([cH]4[cH]5[c]1(C(C)(C)C)[Cr]16782345n2[c]1([cH]6[cH]7[c]82C(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: 8.6668 ± 0.0002 Å
• b: 8.6668 ± 0.0002 Å
• c: 30.8408 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2316.56 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No