Information card for entry 7210882

Structure parameters

• Formula: C134 H156 N4 O22 Zn4
• Calculated formula: C134 H154 N4 O22 Zn4
• Title of publication: Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers
• Authors of publication: Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 8511
• a: 11.737 ± 0.002 Å
• b: 17.132 ± 0.003 Å
• c: 30.875 ± 0.006 Å
• α: 94.26 ± 0.03°
• β: 95.75 ± 0.03°
• γ: 100.9 ± 0.03°
• Cell volume: 6038 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No