Information card for entry 7043678

Structure parameters

• Formula: C101 H90 Ag2 F12 Fe4 N4 O3 P4 Sb2
• Calculated formula: C101 H90 Ag2 F12 Fe4 N4 O3 P4 Sb2
• SMILES: F[Sb](F)(F)(F)(F)[F-].[N]1C#[Ag]23[P]([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]5([cH]4[cH]9[cH]%10[cH]%115)[N]#C[Ag]([P](c4ccccc4)([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]51[cH]4[cH]9[cH]%10[cH]%115)c1ccccc1)([P]([c]14[cH]5[cH]6[cH]7[cH]1[Fe]189%104567[c]4([N]#C3)[cH]1[cH]8[cH]9[cH]%104)(c1ccccc1)c1ccccc1)C#[N][c]13[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)C.C(=O)(C)C.F[Sb](F)(F)(F)(F)[F-].C(=O)(C)C
• Title of publication: Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes
• Authors of publication: Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 29.4021 ± 0.0005 Å
• b: 21.8753 ± 0.0004 Å
• c: 18.7554 ± 0.0003 Å
• α: 90°
• β: 127.17 ± 0.0005°
• γ: 90°
• Cell volume: 9612.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No