Information card for entry 7004985

Structure parameters

• Common name: [PhNC(NH2)(C6H4Me)]
• Formula: C14 H14 N2
• Calculated formula: C14 H14 N2
• SMILES: N(=C(N)\c1ccc(cc1)C)/c1ccccc1
• Title of publication: Synthesis and structures of selected benzamidinates of Li, Na, Al, Zr and Sn(II) using the C1-symmetric ligands [N(SiMe3)C(C6H4Me-4 or Ph)NPh]-.
• Authors of publication: Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 585 - 594
• a: 6.6672 ± 0.0005 Å
• b: 17.708 ± 0.002 Å
• c: 10.1078 ± 0.0009 Å
• α: 90°
• β: 102.654 ± 0.006°
• γ: 90°
• Cell volume: 1164.37 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No