Information card for entry 7012024

Structure parameters

• Formula: C25 H24 Cl4 N8 O Pd2
• Calculated formula: C25 H24 Cl4 N8 O Pd2
• SMILES: [Pd]1(Cl)(Cl)[n]2nn(c3c2cccc3)Cc2[n](cccc2)[Pd](Cl)(Cl)[n]2nn(c3c2cccc3)Cc2[n]1cccc2.OC
• Title of publication: Benzotriazole as a structural component in chelating and bridging heterocyclic ligands; ruthenium, palladium, copper and silver complexes
• Authors of publication: Richardson, Chris; Steel, Peter J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 992
• a: 10.82 ± 0.002 Å
• b: 15.273 ± 0.002 Å
• c: 17.715 ± 0.003 Å
• α: 90°
• β: 97.21 ± 0.01°
• γ: 90°
• Cell volume: 2904.3 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0996
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.674
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No