Crystallography Open Database

Information card for entry 1550669

Preview

Coordinates	1550669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H12 N6 O38 Zr6
Calculated formula	C57 H12 N6 O38 Zr6
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	19.225 ± 0.002 Å
b	19.225 ± 0.002 Å
c	19.225 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7105.6 ± 1.3 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1529
Residual factor for significantly intense reflections	0.1155
Weighted residual factors for significantly intense reflections	0.3515
Weighted residual factors for all reflections included in the refinement	0.4127
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	1550669.cif