Information card for entry 4313667

Structure parameters

• Formula: C13 H15 Cl4 Fe N3 O2 P4 S
• Calculated formula: C13 H15 Cl4 Fe N3 O2 P4 S
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[c]7([cH]81)CP1(=S)COP2(Cl)=NP(Cl)(OC1)=NP(Cl)(Cl)=N2
• Title of publication: Ansa versus Spiro Substitution of Cyclophosphazenes: Is Fluorination Essential for Ansa to Spiro Transformation of Cyclophosphazenes?
• Authors of publication: K. Muralidharan; P. Venugopalan; Anil J. Elias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3176 - 3182
• a: 8.427 ± 0.001 Å
• b: 9.61 ± 0.001 Å
• c: 14.201 ± 0.001 Å
• α: 98.49 ± 0.01°
• β: 97.27 ± 0.01°
• γ: 95.89 ± 0.01°
• Cell volume: 1119.6 ± 0.2 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: 0.0299
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No