Information card for entry 7026798

Structure parameters

• Chemical name: 2-[2,6-bis-(2,4,6-trimethylphenyl)phenyl]amino-2-arsa-3,7-diaza- tricyclo[5.4.1.03,12]dodec-3(12)-enylium chloride
• Formula: C33 H41 As Cl N3
• Calculated formula: C33 H41 As Cl N3
• SMILES: [As]1(Cl)(Nc2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)[N]2=C3N(CCCCC13)CCC2
• Title of publication: Synthesis of sterically encumbered 2,4-bis-m-terphenyl-1,3-dichloro-2,4-cyclo-dipnictadiazanes [m-TerNPnCl](2), (Pn = P, As).
• Authors of publication: Reiss, Fabian; Schulz, Axel; Villinger, Alexander; Weding, Nico
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9962 - 9972
• a: 10.158 ± 0.002 Å
• b: 11.122 ± 0.002 Å
• c: 14.58 ± 0.003 Å
• α: 96.83 ± 0.03°
• β: 100.13 ± 0.03°
• γ: 110.1 ± 0.03°
• Cell volume: 1493.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0661
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No