Crystallography Open Database

Information card for entry 7241994

7241993 << 7241994 >> 7241995

Preview

Coordinates	7241994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 Mn3 N4 O15 S2
Calculated formula	C50 H46 Mn3 N4 O15 S2
Title of publication	Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion
Authors of publication	Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	6
Pages of publication	1447 - 1454
a	27.221 ± 0.002 Å
b	15.4625 ± 0.0013 Å
c	13.364 ± 0.0011 Å
α	90°
β	117.265 ± 0.001°
γ	90°
Cell volume	5000 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.054
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262577 (current)	2021-03-05	cif/ Updating files of 7241993, 7241994 Original log message: Adding full bibliography for 7241993--7241994.cif.	7241994.cif
260219	2020-12-30	cif/ Adding structures of 7241993, 7241994 via cif-deposit CGI script.	7241994.cif