Crystallography Open Database

Information card for entry 1553651

Preview

Coordinates	1553651.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SIFSIX-3-Fe
Chemical name	SIFSIX-3-Fe
Formula	C8 H8 F6 Fe N4 O Si
Calculated formula	C8 H8 F6 Fe N4 O Si
Title of publication	Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Authors of publication	Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Journal of publication	Chemical science
Year of publication	2017
Journal volume	8
Journal issue	3
Pages of publication	2373 - 2380
a	7.1831 ± 0.0011 Å
b	7.1831 ± 0.0011 Å
c	7.5839 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	391.31 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1543
Weighted residual factors for all reflections included in the refinement	0.1717
Goodness-of-fit parameter for all reflections included in the refinement	1.24
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
235373 (current)	2019-11-23	cif/ Adding structures of 1553648, 1553649, 1553650, 1553651 via cif-deposit CGI script.	1553651.cif