Information card for entry 7036001

Structure parameters

• Formula: C69 H66 F36 Mo2 N12 P2
• Calculated formula: C69 H66 F36 Mo2 N12 P2
• Title of publication: Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.
• Authors of publication: Hatnean, Jillian A.; Johnson, Samuel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14925 - 14936
• a: 13.272 ± 0.002 Å
• b: 18.543 ± 0.003 Å
• c: 17.109 ± 0.003 Å
• α: 90°
• β: 109.595 ± 0.002°
• γ: 90°
• Cell volume: 3966.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No