Information card for entry 7055744

Structure parameters

• Chemical name: (4'-(4-Hydroxyphenyl)-2,2':6',2''-terpyridine-κ^3^N)chloridopalladium(II)
• Formula: C21 H17 Cl2 N3 O2.8 Pd
• Calculated formula: C21 H17 Cl2 N3 O2.8 Pd
• Title of publication: A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines
• Authors of publication: Darabi, Farivash; Hadadzadeh, Hassan; Simpson, Jim; Shahpiri, Azar
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9081
• a: 29.3162 ± 0.0006 Å
• b: 29.3162 ± 0.0006 Å
• c: 5.0991 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4382.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.2899
• Weighted residual factors for all reflections included in the refinement: 0.2936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No