Information card for entry 7109191

Structure parameters

• Formula: C57 H97 Co N7 O1.5 P3 Zr
• Calculated formula: C57 H97 Co N7 O1.5 P3 Zr
• SMILES: [Co]123([Zr]4(N(c5c(C)cc(C)cc5C)[P]1(C(C)C)C(C)C)(N(c1c(C)cc(C)cc1C)[P]2(C(C)C)C(C)C)(N(c1c(C)cc(C)cc1C)[P]3(C(C)C)C(C)C)[NH2]N4c1ccccc1)[N]#N.O(CC)CC.O(CC)CC
• Title of publication: N-H activation of hydrazines by a heterobimetallic Zr-Co complex: promotion of one-electron chemistry at Zr
• Authors of publication: J. W. Napoline; Mark W. Bezpalko; Bruce M. Foxmana; Christine M. Thomas
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4388
• a: 13.6949 ± 0.0008 Å
• b: 20.9745 ± 0.0012 Å
• c: 21.5785 ± 0.0012 Å
• α: 97.813 ± 0.003°
• β: 91.737 ± 0.003°
• γ: 104.989 ± 0.003°
• Cell volume: 5917.9 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No