Information card for entry 2018815

Structure parameters

• Chemical name: Poly[[bis(μ-4,4'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)bis(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)cadmium(II)] dihydrate]
• Formula: C36 H46 Cd N8 O10
• Calculated formula: C36 H46 Cd N8 O10
• Title of publication: Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate
• Authors of publication: Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 232 - 236
• a: 14.5363 ± 0.0012 Å
• b: 14.9862 ± 0.0013 Å
• c: 18.3813 ± 0.0017 Å
• α: 90°
• β: 105.384 ± 0.007°
• γ: 90°
• Cell volume: 3860.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes