Crystallography Open Database

Information card for entry 1548396

Preview

Coordinates	1548396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N4 Ni2 O15 S
Calculated formula	C28 H30 N4 Ni2 O15 S
Title of publication	Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.
Authors of publication	Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	4
Pages of publication	950 - 955
a	39.7584 ± 0.0002 Å
b	39.7584 ± 0.0002 Å
c	39.7584 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	62847.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1988
Weighted residual factors for all reflections included in the refinement	0.2155
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
228714 (current)	2019-11-17	cif/ Updating files of 1548396, 1548397 Original log message: Adding full bibliography for 1548396--1548397.cif.	1548396.cif
204011	2017-12-06	cif/ Adding structures of 1548396, 1548397 via cif-deposit CGI script.	1548396.cif