Information card for entry 7030455

Structure parameters

• Formula: C28 H48 Cr N2
• Calculated formula: C28 H48 Cr N2
• SMILES: [Cr]12345678(N9[C]1(=[C]2([C]3(=[C]49C(C)(C)C)C)C)C(C)(C)C)N1[C]5(=[C]6([C]7(=[C]81C(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: 9.0267 ± 0.0005 Å
• b: 32.0929 ± 0.0016 Å
• c: 10.4615 ± 0.0006 Å
• α: 90°
• β: 114.962 ± 0.007°
• γ: 90°
• Cell volume: 2747.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No