Information card for entry 4341509

Structure parameters

• Formula: C22 H10 F10 Fe2 N6 O6 P6
• Calculated formula: C22 H10 F10 Fe2 N6 O6 P6
• SMILES: C(#[O])[Fe]12([C]3([C]4(=[C]5([C]1(P1(F)=NP(F)(F)=NP(F)(F)=N1)[Fe]2345(C#[O])(C#[O])C#[O])c1ccccc1)c1ccccc1)P1(=NP(=NP(F)(F)=N1)(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: 8.929 ± 0.003 Å
• b: 22.93 ± 0.008 Å
• c: 9.205 ± 0.003 Å
• α: 90°
• β: 117.449 ± 0.006°
• γ: 90°
• Cell volume: 1672.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No