Crystallography Open Database

Information card for entry 4127283

Preview

Coordinates	4127283.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	T3145
Formula	C81 H86 N2 O26 S4 Zn4
Calculated formula	C81 H86 N2 O26 S4 Zn4
Title of publication	Boosting Enantioselectivity of Chiral Organocatalysts with Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets.
Authors of publication	Tan, Chunxia; Yang, Kuiwei; Dong, Jinqiao; Liu, Yuhao; Liu, Yan; Jiang, Jianwen; Cui, Yong
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	13.9028 ± 0.0003 Å
b	14.2795 ± 0.0003 Å
c	16.7217 ± 0.0004 Å
α	112.768 ± 0.001°
β	103.651 ± 0.001°
γ	91.157 ± 0.001°
Cell volume	2951.4 ± 0.12 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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