Crystallography Open Database

Information card for entry 7119575

7119574 << 7119575 >> 7119576

Preview

Coordinates	7119575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H47 Fe2 N4 Na3 O20
Calculated formula	C46 H47 Fe2 N4 Na3 O20
Title of publication	Two microporous Fe-based MOFs with multiple active sites for selective gas adsorption.
Authors of publication	Li, Yun-Wu; Yan, Hui; Hu, Tong-Liang; Ma, Hui-Yan; Li, Da-Cheng; Wang, Su-Na; Yao, Qing-Xia; Dou, Jian-Min; Xu, Jian; Bu, Xian-He
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	15
Pages of publication	2394 - 2397
a	13.543 ± 0.0012 Å
b	19.3401 ± 0.0017 Å
c	23.223 ± 0.002 Å
α	90°
β	123.452 ± 0.003°
γ	90°
Cell volume	5075 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2013
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.2247
Weighted residual factors for all reflections included in the refinement	0.2693
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193703 (current)	2017-03-05	cif/ Updating files of 7119574, 7119575 Original log message: Adding full bibliography for 7119574--7119575.cif.	7119575.cif
191171	2017-02-01	cif/ Adding structures of 7119574, 7119575 via cif-deposit CGI script.	7119575.cif