Information card for entry 4303835

Structure parameters

• Formula: C76 H98 Mn2 N2
• Calculated formula: C76 H98 Mn2 N2
• SMILES: c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Mn]1[N](C)(C)[Mn](c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[N]1(C)C.c1ccccc1.c1ccccc1
• 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: 16.9367 ± 0.0007 Å
• b: 10.5787 ± 0.0005 Å
• c: 18.7807 ± 0.0008 Å
• α: 90°
• β: 104.112 ± 0.001°
• γ: 90°
• Cell volume: 3263.4 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No