Information card for entry 7705777

Structure parameters

• Formula: C18 H18 As Br2 N3 Ni
• Calculated formula: C18 H18 As Br2 N3 Ni
• SMILES: [As]1(c2nc(ccc2)C)c2[n]([Ni](Br)(Br)[n]3c1cccc3C)c(ccc2)C
• 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: 8.2096 ± 0.0003 Å
• b: 8.5804 ± 0.0003 Å
• c: 15.8305 ± 0.0005 Å
• α: 100.351 ± 0.002°
• β: 93.784 ± 0.002°
• γ: 114.969 ± 0.0015°
• Cell volume: 981.79 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No