Information card for entry 7036003

Structure parameters

• Formula: C108 H132 Mo4 N24 Ni O0 P4
• Calculated formula: C140.5 Mo4 N16 Ni O6.5 P4
• SMILES: [Ni]([P]12CN([Mo](N(C1)c1cc(cc(c1)C)C)(N(C2)c1cc(cc(c1)C)C)3#N)c1cc(cc(c1)C)C)([P]12CN([Mo](N(C1)c1cc(cc(c1)C)C)(N(C2)c1cc(cc(c1)C)C)3#N)c1cc(cc(c1)C)C)([P]12CN(c3cc(cc(c3)C)C)[Mo](N(C1)c1cc(cc(c1)C)C)(N(C2)c1cc(cc(c1)C)C)#N)[P]12CN([Mo](N(C1)c1cc(cc(c1)C)C)(N(C2)c1cc(cc(c1)C)C)#N)c1cc(cc(c1)C)C.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: 54.295 ± 0.009 Å
• b: 16.506 ± 0.003 Å
• c: 32.198 ± 0.005 Å
• α: 90°
• β: 93.411 ± 0.002°
• γ: 90°
• Cell volume: 28805 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2401
• Residual factor for significantly intense reflections: 0.2299
• Weighted residual factors for significantly intense reflections: 0.493
• Weighted residual factors for all reflections included in the refinement: 0.5048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No