Information card for entry 2015681

Structure parameters

• Chemical name: tetrakis[hexaamminecobalt(III)] hexachlorodadmate(II) bis[aquatetrachlorothiocyanatocadmate(II)] dichloride dihydrate
• Formula: C2 H80 Cd3 Cl16 Co4 N26 O4 S2
• Calculated formula: C2 H80 Cd3 Cl16 Co4 N26 O4 S2
• SMILES: [NH3][Co]([NH3])([NH3])([NH3])([NH3])[NH3].[NH3][Co]([NH3])([NH3])([NH3])([NH3])[NH3].[OH2][Cd](SC#N)(Cl)(Cl)(Cl)Cl.[Cd](Cl)(Cl)([Cl-])([Cl-])([Cl-])[Cl-].[Cl-].O.C(#N)S[Cd]([OH2])(Cl)(Cl)(Cl)Cl.[NH3][Co]([NH3])([NH3])([NH3])([NH3])[NH3].[NH3][Co]([NH3])([NH3])([NH3])([NH3])[NH3].[Cl-].O
• Title of publication: The first X-ray structure of a hexaamminecobalt(III) salt with two different complex chlorocadmium anions: synthesis, characterization and crystal structure of [Co(NH~3~)~6~]~4~[CdCl~6~][CdCl~4~(SCN)(H~2~O)]~2~Cl~2~·2H~2~O
• Authors of publication: Bala, Ritu; Sharma, Raj Pal; Sharma, Upendra; Ferretti, Valeria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m628 - m631
• a: 8.8511 ± 0.0001 Å
• b: 28.6847 ± 0.0004 Å
• c: 11.9607 ± 0.0002 Å
• α: 90°
• β: 109.958 ± 0.0006°
• γ: 90°
• Cell volume: 2854.34 ± 0.07 ų
• Cell temperature: 295 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes