Information card for entry 7208881

Structure parameters

• Formula: C41 H71 N11 Ni O19 Zn2
• Calculated formula: C41 H67 N11 Ni O19 Zn2
• Title of publication: Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity
• Authors of publication: Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 78
• a: 11.5109 ± 0.0014 Å
• b: 11.5916 ± 0.0014 Å
• c: 21.717 ± 0.003 Å
• α: 91.17 ± 0.002°
• β: 94.449 ± 0.002°
• γ: 113.834 ± 0.002°
• Cell volume: 2638.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No