Information card for entry 4339195

Structure parameters

• Formula: C84 H104 Cr2 F8 O2
• Calculated formula: C84 H104 Cr2 F8 O2
• SMILES: c1(c(cc(cc1c1c(cccc1C(C)C)C(C)C)C(F)(F)F)c1c(cccc1C(C)C)C(C)C)[Cr]1([F][Cr](c2c(cc(cc2c2c(cccc2C(C)C)C(C)C)C(F)(F)F)c2c(cccc2C(C)C)C(C)C)([F]1)[O]1CCCC1)[O]1CCCC1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Substituent effects in formally quintuple-bonded ArCrCrAr compounds (Ar = terphenyl) and related species.
• Authors of publication: Wolf, Robert; Ni, Chengbao; Nguyen, Tailuan; Brynda, Marcin; Long, Gary J.; Sutton, Andrew D.; Fischer, Roland C.; Fettinger, J. C.; Hellman, Matthew; Pu, Lihung; Power, Philip P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11277 - 11290
• a: 9.8443 ± 0.0005 Å
• b: 13.8545 ± 0.0007 Å
• c: 14.2731 ± 0.0008 Å
• α: 101.999 ± 0.001°
• β: 98.78 ± 0.001°
• γ: 93.103 ± 0.001°
• Cell volume: 1874.39 ± 0.17 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: 0.0616
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No