Information card for entry 7039013

Structure parameters

• Common name: K5PDIMoI
• Formula: C39 H41 I Mo N3 P2
• Calculated formula: C39 H41 I Mo N3 P2
• SMILES: CC1c2cccc3[n]2[Mo]24(I)([N]=1CCC[P]4(c1ccccc1)c1ccccc1)[P](CCC[N]2=C3C)(c1ccccc1)c1ccccc1
• Title of publication: Isolation of a bis(imino)pyridine molybdenum(i) iodide complex through controlled reduction and interconversion of its reaction products.
• Authors of publication: Pal, Raja; Cherry, Brian R.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 10024 - 10033
• a: 10.343 ± 0.003 Å
• b: 10.343 ± 0.003 Å
• c: 33.282 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3560.4 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No