Information card for entry 4341510

Structure parameters

• Formula: C27 H15 F15 Fe N9 O3 P9
• Calculated formula: C27 H15 F15 Fe N9 O3 P9
• SMILES: [Fe]12345([c]6(OC(=C5P5(=NP(=NP(=N5)(F)F)(F)F)F)c5ccccc5)[c]1([c]2([c]3([c]46P1(=NP(=NP(=N1)(F)F)(F)F)F)c1ccccc1)c1ccccc1)P1(=NP(=NP(=N1)(F)F)(F)F)F)(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: 14.063 ± 0.003 Å
• b: 15.562 ± 0.003 Å
• c: 19.314 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4226.8 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No