Crystallography Open Database

Information card for entry 1550671

Preview

Coordinates	1550671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H13 B3 O20 Zr3
Calculated formula	C24 H13 B3 O20 Zr3
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	40.5746 ± 0.0008 Å
b	40.5746 ± 0.0008 Å
c	17.0198 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	28019.7 ± 1 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.1378
Residual factor for significantly intense reflections	0.1028
Weighted residual factors for significantly intense reflections	0.2872
Weighted residual factors for all reflections included in the refinement	0.3466
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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.	1550671.cif