Information card for entry 7039314

Structure parameters

• Formula: C22 H31 Ge N2 P
• Calculated formula: C22 H31 Ge N2 P
• SMILES: [Ge]1N(P(N1c1c(C(C)C)cccc1C(C)C)c1ccccc1)C(C)(C)C
• Title of publication: Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.
• Authors of publication: Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10343 - 10354
• a: 10.179 ± 0.0004 Å
• b: 10.6229 ± 0.0007 Å
• c: 11.3441 ± 0.0005 Å
• α: 105.523 ± 0.005°
• β: 101.831 ± 0.004°
• γ: 99.773 ± 0.004°
• Cell volume: 1123.5 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No