Information card for entry 4070203

Structure parameters

• Formula: C42 H62 Cr2 F6 N2 O8 P4 S2 W
• Calculated formula: C42 H45 Cr2 F6 N2 O8 P4 S2 W
• SMILES: [W]12([P]([c]34[Cr]56789%10%11%12%13([cH]3[cH]5[cH]6[cH]7[cH]48)[c]3([P]1(C)C)[cH]9[cH]%10[cH]%11[cH]%12[cH]%133)(C)C)([P]([c]13[Cr]456789%10%11%12([cH]1[cH]4[cH]5[cH]6[cH]37)[c]1([P]2(C)C)[cH]8[cH]9[cH]%10[cH]%11[cH]%121)(C)C)(OS(=O)(=O)C(F)(F)F)[N][NH].S(=O)(=O)([O-])C(F)(F)F.O1CCCC1.O1CCCC1
• Title of publication: Preparation and Protonation of Tungsten- and Molybdenum-Dinitrogen Complexes Bearing Bis(dialkylphosphinobenzene)chromiums as Auxiliary Ligands
• Authors of publication: Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5821
• a: 16.7101 ± 0.0009 Å
• b: 10.0276 ± 0.0004 Å
• c: 31.4981 ± 0.0014 Å
• α: 90°
• β: 103.465 ± 0.0019°
• γ: 90°
• Cell volume: 5132.8 ± 0.4 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No