Information card for entry 7039318

Structure parameters

• Formula: C48 H68 Ge N4 P2
• Calculated formula: C48 H68 Ge N4 P2
• SMILES: c1(c(C(C)C)cccc1C(C)C)N1P=[N](c2c(cccc2C(C)C)C(C)C)[Ge]21[N](c1c(cccc1C(C)C)C(C)C)=PN2c1c(cccc1C(C)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: 15.1732 ± 0.0004 Å
• b: 20.1215 ± 0.0008 Å
• c: 15.398 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4701.1 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No