Crystallography Open Database

Information card for entry 1550666

Preview

Coordinates	1550666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 Cu N O4
Calculated formula	C14 H9 Cu N O4
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	18.6355 ± 0.0007 Å
b	18.6355 ± 0.0007 Å
c	34.4019 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	10346.5 ± 0.7 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 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.	1550666.cif