Information card for entry 4070393

Structure parameters

• Formula: C75 H111 Cl2 N5 Ni2
• Calculated formula: C75 H111 Cl2 N5 Ni2
• SMILES: C1(N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)=[Ni]1(Cl)N(c2c(cc(cc2C)C)C)[Ni]1(=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)Cl.CCCCCC.CCCCCC
• Title of publication: Group-Transfer Reactions of Ni(II)−Ni(II) Bridging Imido Complexes. Catalytic Formation of Carbodiimides and Isocyanates via Nitrene Transfer from Organoazides
• Authors of publication: Laskowski, Carl A.; Hillhouse, Gregory L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 6114
• a: 16.381 ± 0.011 Å
• b: 28.878 ± 0.019 Å
• c: 15.892 ± 0.011 Å
• α: 90°
• β: 101.625 ± 0.012°
• γ: 90°
• Cell volume: 7364 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No