Crystallography Open Database

Information card for entry 1550673

Preview

Coordinates	1550673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H96 Cd7 N8 O48
Calculated formula	C160 H92 Cd7 N8 O48
Title of publication	Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions
Authors of publication	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff
Journal of publication	Chemical Science
Year of publication	2019
a	32.872 ± 0.002 Å
b	19.2171 ± 0.0007 Å
c	32.4 ± 0.003 Å
α	90°
β	105.239 ± 0.009°
γ	90°
Cell volume	19748 ± 2 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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	0.1747
Residual factor for significantly intense reflections	0.1068
Weighted residual factors for significantly intense reflections	0.2963
Weighted residual factors for all reflections included in the refinement	0.3422
Goodness-of-fit parameter for all reflections included in the refinement	0.909
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213903 (current)	2019-03-01	cif/ Adding structures of 1550665, 1550666, 1550667, 1550668, 1550669, 1550670, 1550671, 1550672, 1550673, 1550674, 1550675 via cif-deposit CGI script.	1550673.cif