Information card for entry 4328567

Structure parameters

• Formula: C72 H100 Cr N2
• Calculated formula: C72 H100 Cr N2
• SMILES: [c]12(c(cc(cc1C(C)C)C(C)C)C(C)C)[Cr]1([c]3(c4c(c(ccc4)c4c(cc(cc4C(C)C)C(C)C)C(C)C)N1)c(cc(cc3C(C)C)C(C)C)C(C)C)Nc1c2cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Two-Coordinate, Quasi-Two-Coordinate, and Distorted Three Coordinate, T-Shaped Chromium(II) Amido Complexes: Unusual Effects of Coordination Geometry on the Lowering of Ground State Magnetic Moments
• Authors of publication: Jessica N. Boynton; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3212 - 3219
• a: 10.341 ± 0.002 Å
• b: 11.392 ± 0.002 Å
• c: 14.585 ± 0.003 Å
• α: 70.389 ± 0.003°
• β: 81.988 ± 0.003°
• γ: 80.301 ± 0.003°
• Cell volume: 1589 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No