Information card for entry 4082043

Structure parameters

• Formula: C57 H54 Cr2 F N9
• Calculated formula: C57 H54 Cr2 F N9
• SMILES: C1c2ccc3C(C)(C)c4ccc5C=[N]6c7cc(C)c(C)cc7[N]7=Cc8ccc9C(C)(C)c%10ccc%11C=[N]%12c%13cc(C)c(C)cc%13[N]=1[Cr]6([C](#[N]c1c(C)cccc1C)[Cr]7%12(n89)n%10%11)(n23)n45.c1(ccccc1)F
• Title of publication: Isocyanide and Phosphine Oxide Coordination in Binuclear Chromium Pacman Complexes
• Authors of publication: Stevens, Charlotte J.; Nichol, Gary S.; Arnold, Polly L.; Love, Jason B.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 6879
• a: 8.8576 ± 0.0002 Å
• b: 11.7478 ± 0.0003 Å
• c: 24.1946 ± 0.0005 Å
• α: 92.446 ± 0.002°
• β: 99.316 ± 0.002°
• γ: 96.709 ± 0.002°
• Cell volume: 2462.53 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No