Information card for entry 1513675

Structure parameters

• Chemical name: 1,3-bis[4-(N,N-dimethylamino)piridyl]-2,4-bis(trimethylsilyl)-cyclo-1,3- diphospha-2,4-diazenium bis-tetrachlorogallate
• Formula: C21 H40 Cl10 Ga2 N6 P2 Si2
• Calculated formula: C21 H40 Cl10 Ga2 N6 P2 Si2
• SMILES: [Cl-][Ga](Cl)(Cl)Cl.[Cl-][Ga](Cl)(Cl)Cl.CN(c1cc[n+](cc1)P1N(P(N1[Si](C)(C)C)[n+]1ccc(N(C)C)cc1)[Si](C)(C)C)C.ClCCl
• Title of publication: Diatomic PN ‒ trapped in a cyclo-tetraphosphazene
• Authors of publication: Hering, Christian; Schulz, Axel; Villinger, Alexander
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1064
• a: 18.2251 ± 0.0007 Å
• b: 16.1902 ± 0.0006 Å
• c: 16.0587 ± 0.0007 Å
• α: 90°
• β: 115.528 ± 0.002°
• γ: 90°
• Cell volume: 4275.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No