Information card for entry 7705781

Structure parameters

• Formula: C40 H42 As2 Br4 Co2 N8 O2
• Calculated formula: C40 H42 As2 Br4 Co2 N8 O2
• SMILES: Br[Co]12([O]=[As](c3[n]1c(ccc3)C)(c1nc(ccc1)C)c1nc(ccc1)C)[O]=[As](c1[n]2c(ccc1)C)(c1nc(ccc1)C)c1nc(ccc1)C.Br[Co](Br)(Br)[N]#CC.N#CC
• 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: 11.5249 ± 0.0004 Å
• b: 11.8024 ± 0.0004 Å
• c: 19.742 ± 0.0007 Å
• α: 100.624 ± 0.002°
• β: 99.526 ± 0.002°
• γ: 112.501 ± 0.002°
• Cell volume: 2354.55 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No