Information card for entry 4328603

Structure parameters

• Common name: Co{N(H)ArMe6}2_compound3
• Formula: C48 H52 Co N2
• Calculated formula: C48 H52 Co N2
• SMILES: [Co](Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis, Structural, and Magnetic Characterization of Linear and Bent Geometry Cobalt(II) and Nickel(II) Amido Complexes: Evidence of Very Large Spin-Orbit Coupling Effects in Rigorously Linear Coordinated Co2+
• Authors of publication: Aimee M. Bryan; 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: 3366 - 3373
• a: 9.6706 ± 0.0013 Å
• b: 11.7687 ± 0.0016 Å
• c: 18.198 ± 0.003 Å
• α: 107.353 ± 0.002°
• β: 100.442 ± 0.002°
• γ: 95.132 ± 0.002°
• Cell volume: 1921.3 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No