Information card for entry 7025661

Structure parameters

• Common name: mu-2-aminopyrazine-diaqua-mu-sulfato cadmium(ii) monohydrate
• Chemical name: mu-2-aminopyrazine-diaqua-mu-sulfato cadmium(II) monohydrate
• Formula: C4 H10 Cd N3 O6 S
• Calculated formula: C4 H4 Cd N3 O6 S
• Title of publication: Water-induced reversible structural phase transformation with chromotropism in metal supramolecular frameworks containing aminopyrazine and sulfate anions.
• Authors of publication: Boonmak, Jaursup; Nakano, Motohiro; Chaichit, Narongsak; Pakawatchai, Chaveng; Youngme, Sujittra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8161 - 8167
• a: 19.4038 ± 0.0004 Å
• b: 7.3913 ± 0.0004 Å
• c: 6.6216 ± 0.0003 Å
• α: 90°
• β: 106.719 ± 0.001°
• γ: 90°
• Cell volume: 909.52 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No