Information card for entry 7215043

Structure parameters

• Formula: C27 H60 Co2 N12 O21
• Calculated formula: C27 H58 Co2 N12 O21
• Title of publication: A hydrogen-bonded and π‒π assembled 3D supramolecular network, [Co(en)3]·1.5(C5O5), with 1D microporous hydrophilic channels showing reversible water ad/de-sorption property
• Authors of publication: Wang, Chih-Chieh; Yeh, Chang-Tsung; Cheng, Yi-Ting; Chen, I-Hsuan; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4637
• a: 29.964 ± 0.002 Å
• b: 16.0632 ± 0.0013 Å
• c: 8.618 ± 0.0007 Å
• α: 90°
• β: 101.391 ± 0.002°
• γ: 90°
• Cell volume: 4066.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1024
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No