Information card for entry 7109192

Structure parameters

• Formula: C49 H88 Co N7 O P3 Zr
• Calculated formula: C49 H88 Co N7 O P3 Zr
• SMILES: [Co]123([Zr]4(N(c5c(cc(cc5C)C)C)[P]1(C(C)C)C(C)C)(N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C)(N(c1c(cc(cc1C)C)C)[P]3(C(C)C)C(C)C)N[NH2]4)[N]#N.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: 12.1683 ± 0.0004 Å
• b: 12.8589 ± 0.0004 Å
• c: 17.2789 ± 0.0005 Å
• α: 97.355 ± 0.001°
• β: 96.206 ± 0.001°
• γ: 94.278 ± 0.002°
• Cell volume: 2654.94 ± 0.14 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: 0.0352
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9711
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No