Information card for entry 4070265

Structure parameters

• Formula: C44 H104 Cr2 N4 P4 Si2
• Calculated formula: C44 H104 Cr2 N4 P4 Si2
• SMILES: C(C)(C)(C)N1[Cr]234([N](CC[P]4(C(C)C)C(C)C)(CCP(C(C)C)C(C)C)[Si]1(C)C)[H][Cr]124([H]3)[N](CC[P]4(C(C)C)C(C)C)(CCP(C(C)C)C(C)C)[Si](C)(C)N1C(C)(C)C
• Title of publication: Chromium Complexes Supported by the Multidentate Monoanionic N2P2Ligand: Reduction Chemistry and Reactivity with Ethylene
• Authors of publication: Rozenel, Sergio S.; Chomitz, Wayne A.; Arnold, John
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6243
• a: 10.9976 ± 0.0016 Å
• b: 12.272 ± 0.0018 Å
• c: 12.4998 ± 0.0019 Å
• α: 114.965 ± 0.002°
• β: 108.976 ± 0.002°
• γ: 90.341 ± 0.002°
• Cell volume: 1425.9 ± 0.4 ų
• Cell temperature: 144 ± 2 K
• Ambient diffraction temperature: 144 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No