Information card for entry 4341513

Structure parameters

• Formula: C24 H15 F5 Mo2 N3 O4 P3
• Calculated formula: C24 H15 F5 Mo2 N3 O4 P3
• SMILES: [Mo]12345([C]6(C#Cc7ccccc7)[Mo]789%10([C]1=6P1(F)=NP(F)(F)=NP(F)(F)=N1)(C#[O])(C#[O])[cH]1[cH]8[cH]9[cH]%10[cH]71)(C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]21
• 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: 8.3549 ± 0.0011 Å
• b: 11.0813 ± 0.0014 Å
• c: 15.788 ± 0.002 Å
• α: 69.946 ± 0.002°
• β: 84.218 ± 0.002°
• γ: 84.831 ± 0.002°
• Cell volume: 1363.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No