Information card for entry 4341514

Structure parameters

• Formula: C28 H19 F5 Fe Mo2 N3 O4 P3
• Calculated formula: C28 H19 F5 Fe Mo2 N3 O4 P3
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C#C[C]12[Mo]349%10([C]=2(P2(=NP(=NP(=N2)(F)F)(F)F)F)[Mo]%11%12%13%141(C#[O])(C#[O])[cH]1[cH]%12[cH]%13[cH]%14[cH]%111)(C#[O])(C#[O])[cH]1[cH]4[cH]9[cH]%10[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: 8.291 ± 0.002 Å
• b: 12.889 ± 0.003 Å
• c: 14.814 ± 0.004 Å
• α: 81.028 ± 0.004°
• β: 87.829 ± 0.004°
• γ: 83.208 ± 0.004°
• Cell volume: 1552.4 ± 0.7 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: 0.0605
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No