Information card for entry 4345926

Structure parameters

• Formula: C40 H30 As2 Cl14 Pd
• Calculated formula: C40 H30 As2 Cl14 Pd
• SMILES: [Pd]1([As](c2c(c3c([As]41c1ccccc1c1c4cccc1)cccc3)cccc2)(c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.
• Authors of publication: Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4505 - 4512
• a: 18.3937 ± 0.0008 Å
• b: 9.7569 ± 0.0005 Å
• c: 26.0287 ± 0.0013 Å
• α: 90°
• β: 98.622 ± 0.003°
• γ: 90°
• Cell volume: 4618.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No