Information card for entry 2224261

Structure parameters

• Chemical name: Bis(2-aminopyrazine-κ<i>N</i>^1^)tetraaquacadmium(II) bis(perchlorate)‒2-aminopyrazine (1/4)
• Formula: C24 H38 Cd Cl2 N18 O12
• Calculated formula: C24 H38 Cd Cl2 N18 O12
• SMILES: c1ccnc([n]1[Cd]([OH2])([OH2])([n]1cccnc1N)([OH2])[OH2])N.c1cnc(nc1)N.c1nc(ncc1)N.[O-]Cl(=O)(=O)=O.c1ccnc(n1)N.c1nc(ncc1)N.[O-]Cl(=O)(=O)=O
• Title of publication: Bis(2-aminopyrazine-κ<i>N</i>^1^)tetraaquacadmium(II) bis(perchlorate)‒2-aminopyrazine (1/4)
• Authors of publication: Cheng, Xiao-Li; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1634
• a: 8.8912 ± 0.0002 Å
• b: 23.2402 ± 0.0004 Å
• c: 9.3689 ± 0.0002 Å
• α: 90°
• β: 96.4263 ± 0.0007°
• γ: 90°
• Cell volume: 1923.76 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes