Information card for entry 4341511

Structure parameters

• Formula: C20 H10 F10 Fe N6 O4 P6
• Calculated formula: C20 H10 F10 Fe N6 O4 P6
• SMILES: [Fe]1234([C]5(=O)[C]1(P1(=NP(=NP(=N1)(F)F)(F)F)F)=[C]2([C]3(=[C]45P1(=NP(=NP(=N1)(F)F)(F)F)F)c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.
• Authors of publication: Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10674 - 10684
• a: 15.215 ± 0.003 Å
• b: 10.924 ± 0.002 Å
• c: 19.809 ± 0.004 Å
• α: 90°
• β: 109.111 ± 0.004°
• γ: 90°
• Cell volume: 3111 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No