Information card for entry 4312498

Structure parameters

• Formula: C16 H21 F2 Fe N3 O4 P4 S
• Calculated formula: C16 H21 F2 Fe N3 O4 P4 S
• SMILES: FP12OCP(=S)(C[c]45[cH]6[cH]7[cH]8[Fe]9%10%11%12467([cH]4[cH]9[cH]%11[cH]%12[cH]%104)[cH]58)COP(=N2)(F)N=P2(N=1)OCCCO2
• Title of publication: Preparation of the First Examples of Ansa-Spiro Substituted Fluorophosphazenes and Their Structural Studies: Analysis of C-H...F-P Weak Interactions in Substituted Fluorophosphazenes
• Authors of publication: K. Muralidharan; Anil J. Elias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7535 - 7543
• a: 9.373 ± 0.005 Å
• b: 10.467 ± 0.005 Å
• c: 12.753 ± 0.005 Å
• α: 72.025 ± 0.005°
• β: 73.471 ± 0.005°
• γ: 77.116 ± 0.005°
• Cell volume: 1128.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No