Information card for entry 7008250

Structure parameters

• Common name: (I-Hydroxo)-(I-1,4,7,10,13,16-hexa-azacyclo-octadecane)-di- palladinm triperchlorate
• Chemical name: (I-Hydroxo)-(I-1,4,7,10,13,16-hexa-azacyclo-octadecane)-di- palladinm triperchlorate
• Formula: C12 H31 Cl3 N6 O13 Pd2
• Calculated formula: C12 H31 Cl3 N6 O13 Pd2
• SMILES: [Pd]123[OH][Pd]45[NH]6CC[NH]3CC[NH]2CC[NH]1CC[NH]4CC[NH]5CC6.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synergic effect of two metal centers in catalytic hydrolysis of methionine-containing peptides promoted by dinuclear palladium(II) hexaazacyclooctadecane complex.
• Authors of publication: Yang, Gaosheng; Miao, Ren; Li, Yizhi; Hong, Jing; Zhao, Chuenmei; Guo, Zijian; Zhu, Longgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1613 - 1619
• a: 9.5368 ± 0.0007 Å
• b: 13.2019 ± 0.001 Å
• c: 19.89 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2504.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No