Information card for entry 4339189

Structure parameters

• Formula: C66 H90 Cr2 Si2
• Calculated formula: C66 H90 Cr2 Si2
• SMILES: c12c(cc(cc1c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C)[c]1([c]3(cccc1C(C)C)C(C)C)[Cr]13[Cr]23[c]2(c4c1c(cc(c4)[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)[c]3(cccc2C(C)C)C(C)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: 11.6752 ± 0.0004 Å
• b: 12.0201 ± 0.0004 Å
• c: 12.4185 ± 0.0004 Å
• α: 94.827 ± 0.001°
• β: 114.882 ± 0.001°
• γ: 96.952 ± 0.001°
• Cell volume: 1551.63 ± 0.09 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No