Information card for entry 4303837

Structure parameters

• Formula: C52 H60 Co2 I2 N2
• Calculated formula: C52 H60 Co2 I2 N2
• SMILES: c1(c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Co]1([I][Co](c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)([I]1)[N](=C)C)[N](=C)C
• Title of publication: Synthesis, Characterization, and Magnetism of Divalent Aryl Transition-Metal Complexes of the Simplest Dialkylamide, NMe2: Rare T-Shaped Coordination at Chromium
• Authors of publication: Chengbao Ni; Gary J. Long; Fernande Grandjean; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11594 - 11600
• a: 8.2491 ± 0.001 Å
• b: 11.597 ± 0.0014 Å
• c: 13.2764 ± 0.0016 Å
• α: 72.051 ± 0.001°
• β: 83.389 ± 0.002°
• γ: 78.197 ± 0.002°
• Cell volume: 1180.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No