Information card for entry 7027930

Structure parameters

• Formula: C104 H144 Cr N4 Na O8
• Calculated formula: C104 H144 Cr N4 Na O8
• SMILES: N1(c2c(cccc2C(C)C)C(C)C)[Cr]2(N(C3=C(c4c5c3cccc5ccc4)N2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)N(C2=C1c1c3c2cccc3ccc1)c1c(cccc1C(C)C)C(C)C.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1OCCC1.O1CCCC1
• Title of publication: Acenaphthene-1,2-diimine chromium complexes
• Authors of publication: Fedushkin, Igor L.; Makarov, Valentin M.; Sokolov, Vladimir G.; Fukin, Georgy K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 38
• Pages of publication: 8047 - 8053
• a: 13.4096 ± 0.0006 Å
• b: 21.0138 ± 0.0009 Å
• c: 32.2379 ± 0.0014 Å
• α: 90°
• β: 90.832 ± 0.001°
• γ: 90°
• Cell volume: 9083.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No