Information card for entry 4082042

Structure parameters

• Formula: C48 H46 Cr2 N8
• Calculated formula: C48 H46 Cr2 N8
• SMILES: C1c2n3[Cr]45[N]=1c1cc(C)c(cc1[N]1=Cc6n7c(C(c8ccc9C=[N](c%10c([N]5=Cc5n4c(C(c3cc2)(C)C)cc5)cc(C)c(C)c%10)[Cr]17n89)(C)C)cc6)C.c1ccccc1
• 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: 21.1687 ± 0.0004 Å
• b: 13.6236 ± 0.0002 Å
• c: 15.7156 ± 0.0003 Å
• α: 90°
• β: 114.066 ± 0.002°
• γ: 90°
• Cell volume: 4138.32 ± 0.14 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.685
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No