Information card for entry 7042553

Structure parameters

• Formula: C42 H73 Cl3 N6 O20 Si6 Zn3
• Calculated formula: C42 H72.9998 Cl3 N6 O19.9998 Si6 Zn3
• Title of publication: Enantiomeric two-fold interpenetrated 3D zinc(ii) coordination networks as a catalytic platform: significant difference between water within the cage and trace water in transesterification.
• Authors of publication: Choi, Eunkyung; Ryu, Minjoo; Lee, Haeri; Jung, Ok-Sang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4595 - 4601
• a: 30.7561 ± 0.0002 Å
• b: 30.7561 ± 0.0002 Å
• c: 30.7561 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29093.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2576
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No