Information card for entry 7036004

Structure parameters

• Formula: C108 H132 Mo4 N16 Ni O6 P4
• Calculated formula: C108 H132 Mo4 N16 Ni O6 P4
• SMILES: N1(C[P]2([Ni]([P]34CN(c5ccccc5)[Mo](N(C4)c4ccccc4)(N(C3)c3ccccc3)#N)([P]34CN(c5ccccc5)[Mo](N(C4)c4ccccc4)(N(C3)c3ccccc3)#N)[P]34CN(c5ccccc5)[Mo](N(C4)c4ccccc4)(N(C3)c3ccccc3)#N)CN(c3ccccc3)[Mo]1(N(C2)c1ccccc1)#N)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 24.8542 ± 0.0012 Å
• b: 24.8542 ± 0.0012 Å
• c: 29.932 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16012.8 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No