Information card for entry 4070446

Structure parameters

• Formula: C40 H41 Au Cl Fe4 P
• Calculated formula: C40 H41 Au Cl Fe4 P
• SMILES: [P]([Au]Cl)([C]123[Fe]456789%10([Fe]%11%12%13%14%15%161([Fe]1%17%18%19%20%21%22([Fe]%23%24%25%2624([CH]3%111)([CH]6%18[CH]5%12%17)[c]1([cH]%23[cH]%24[cH]%25[cH]%261)C)[c]1([cH]%19[cH]%20[cH]%21[cH]%221)C)[c]1(C)[cH]%13[cH]%14[cH]%15[cH]%161)[c]1(C)[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1
• Title of publication: Redox-Active Phosphorus Ligands Bearing a [4Fe−4C] Core Substituent
• Authors of publication: Okazaki, Masaaki; Yoshimura, Ken-ichi; Takano, Masato; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 7055
• a: 10.103 ± 0.003 Å
• b: 15.864 ± 0.005 Å
• c: 10.819 ± 0.003 Å
• α: 90 ± 0.0019°
• β: 96.499 ± 0.002°
• γ: 90 ± 0.0019°
• Cell volume: 1722.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No