Information card for entry 7025502

Structure parameters

• Formula: C37 H62 N2 Ni Si2
• Calculated formula: C36 H55 N2 Ni Si2
• SMILES: [Ni]12([N](=C(C)C(=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(C(C)C)cccc1C(C)C)C(=C2[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and exchange reactions of Ni-dimine-COD, acetylene and olefin complexes.
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5786 - 5794
• a: 22.3895 ± 0.0005 Å
• b: 9.7738 ± 0.0002 Å
• c: 18.2857 ± 0.0004 Å
• α: 90°
• β: 109.887 ± 0.001°
• γ: 90°
• Cell volume: 3762.84 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No