Information card for entry 7035998

Structure parameters

• Formula: C27 H33 Mo N4 P
• Calculated formula: C27 H33 Mo N4 P
• SMILES: [Mo]123([P](CN1c1cc(cc(c1)C)C)(CN2c1cc(cc(c1)C)C)CN3c1cc(cc(c1)C)C)#N
• 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: 10.5565 ± 0.0014 Å
• b: 10.6963 ± 0.0014 Å
• c: 22.44 ± 0.003 Å
• α: 90°
• β: 95.443 ± 0.001°
• γ: 90°
• Cell volume: 2522.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No