Crystallography Open Database

Information card for entry 1550674

Preview

Coordinates	1550674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H22 In N2 O8
Calculated formula	C40 H22 In N2 O8
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	32.0315 ± 0.0003 Å
b	28.2049 ± 0.0003 Å
c	19.86 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	17942.4 ± 0.3 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.2197
Weighted residual factors for all reflections included in the refinement	0.2308
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	1550674.cif