Information card for entry 7708438

Structure parameters

• Formula: C64 H84 Fe N4 O2 P2
• Calculated formula: C64 H84 Fe N4 O2 P2
• SMILES: [Fe]12345678([c]9(P=C%10N(C(=C(N%10c%10c(cc(cc%10C)C)C)C)C)c%10c(cc(cc%10C)C)C)[cH]1[cH]2[cH]3[cH]49)[c]1(P=C2N(C(=C(N2c2c(cc(cc2C)C)C)C)C)c2c(cc(cc2C)C)C)[cH]5[cH]6[cH]7[cH]81.O(CC)CC.O(CC)CC
• Title of publication: Application of Ferrocene-Bridged N-Heterocyclic Carbene Stabilised Bis-Phosphinidenes in Sn(II) Complexation
• Authors of publication: Baierl, Ramona; Kostenko, Arseni; Hanusch, Franziska; Inoue, Shigeyoshi
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.341 ± 0.005 Å
• b: 14.789 ± 0.004 Å
• c: 15.604 ± 0.006 Å
• α: 80.658 ± 0.013°
• β: 79.157 ± 0.015°
• γ: 66.634 ± 0.012°
• Cell volume: 2969.6 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0345
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No