Information card for entry 7026084

Structure parameters

• Formula: C55 H62 N2 O2 P2 Si2 Zn
• Calculated formula: C55 H62 N2 O2 P2 Si2 Zn
• SMILES: C12C(=C(c3ccccc3)c3ccccc3)O[Zn](c3ccccc3)([N]([Si](C)(C)C)=P1(c1ccccc1)c1ccccc1)[N]([Si](C)(C)C)=P2(c1ccccc1)c1ccccc1.C1CCCO1
• Title of publication: Bis(phosphinimino)methanides as non-innocent ligand in zinc chemistry: synthesis and structures.
• Authors of publication: Marks, Sebastian; Panda, Tarun K.; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 31
• Pages of publication: 7230 - 7235
• a: 10.987 ± 0.002 Å
• b: 21.913 ± 0.004 Å
• c: 21.031 ± 0.004 Å
• α: 90°
• β: 98.72 ± 0.03°
• γ: 90°
• Cell volume: 5004.9 ± 1.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No