Information card for entry 7026794

Structure parameters

• Chemical name: 1,3-dichloro-2,4-bis[2,6-bis-(2,4,6-trimethylphenyl)phenyl]-cyclo-1,3- diphospha-2,4-diazane
• Formula: C48 H50 Cl2 N2 P2
• Calculated formula: C48 H50 Cl2 N2 P2
• SMILES: N1(P(Cl)N(P1Cl)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C
• 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: 19.912 ± 0.004 Å
• b: 8.808 ± 0.0018 Å
• c: 24.42 ± 0.005 Å
• α: 90°
• β: 102.56 ± 0.03°
• γ: 90°
• Cell volume: 4180.4 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No