Crystallography Open Database

Information card for entry 4518928

Preview

Coordinates	4518928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H29 Fe La N4 O10
Calculated formula	C48 H29 Fe La N4 O10
Title of publication	Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.
Authors of publication	Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	31
Pages of publication	37102 - 37110
a	20.847 ± 0.0004 Å
b	26.6888 ± 0.0006 Å
c	9.3343 ± 0.0002 Å
α	90°
β	100.428 ± 0.002°
γ	90°
Cell volume	5107.65 ± 0.19 Å³
Cell temperature	99.97 ± 0.1 K
Ambient diffraction temperature	99.97 ± 0.1 K
Number of distinct elements	6
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	0.0619
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
268477 (current)	2021-09-04	cif/ Updating files of 4518928, 4518929, 4518930, 4518931 Original log message: Adding full bibliography for 4518928--4518931.cif.	4518928.cif
267889	2021-08-03	cif/ Adding structures of 4518928, 4518929, 4518930, 4518931 via cif-deposit CGI script.	4518928.cif