Information card for entry 4341512

Structure parameters

• Formula: C26 H19 F5 Fe Mo2 N3 O4 P3
• Calculated formula: C26 H19 F5 Fe Mo2 N3 O4 P3
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[C]12[Mo]349%10([C]=2(P2(F)=NP(F)(F)=NP(F)(F)=N2)[Mo]%11%12%13%141(C#[O])(C#[O])[cH]1[cH]%11[cH]%14[cH]%13[cH]%121)(C#[O])(C#[O])[cH]1[cH]%10[cH]9[cH]4[cH]31)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 10.031 ± 0.002 Å
• b: 10.601 ± 0.003 Å
• c: 15.137 ± 0.004 Å
• α: 77.944 ± 0.004°
• β: 76.747 ± 0.004°
• γ: 71.353 ± 0.004°
• Cell volume: 1468.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No