Information card for entry 7705773

Structure parameters

• Formula: C20 H22 As Br2 Cl4 N3 Ni O
• Calculated formula: C20 H22 As Br2 Cl4 N3 Ni O
• SMILES: [As]1(=[O][Ni](Br)(Br)[n]2c1cccc2C)(c1nc(ccc1)C)c1nc(ccc1)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)₃] (E = As, As[double bond, length as m-dash]O, Sb).
• Authors of publication: Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2393 - 2402
• a: 12.5295 ± 0.0004 Å
• b: 14.4095 ± 0.0005 Å
• c: 15.1592 ± 0.0005 Å
• α: 90°
• β: 96.375 ± 0.002°
• γ: 90°
• Cell volume: 2719.98 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No