Information card for entry 7039960

Structure parameters

• Chemical name: aqua-(perchlorato-O)(2,6-bis(2-pyridylmethoxymethyl)pyridine-N,N',N'',O,O') cadmium(ii) perchlorate
• Formula: C19 H21 Cd Cl2 N3 O11
• Calculated formula: C19 H21 Cd Cl2 N3 O11
• SMILES: [Cd]1234([O](Cc5[n]2cccc5)Cc2[n]3c(ccc2)C[O]1Cc1[n]4cccc1)(OCl(=O)(=O)=O)[OH2].Cl(=O)(=O)(=O)[O-]
• Title of publication: Contrasting coordination behavior of Group 12 perchlorate salts with an acyclic N3O2 donor ligand by X-ray crystallography and (1)H NMR.
• Authors of publication: Tice, Daniel B.; Pike, Robert D.; Bebout, Deborah C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12871 - 12883
• a: 12.0993 ± 0.0002 Å
• b: 13.5151 ± 0.0002 Å
• c: 28.9842 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4739.59 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No