Crystallography Open Database

Information card for entry 4516601

Preview

Coordinates	4516601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 O7 Sr
Calculated formula	C9 H6 O7 Sr
SMILES	C(=O)(c1c(C(=O)[O-])cc(cc1)C(=O)O)[O-].O.[Sr+2]
Title of publication	Semiconductor Behavior of a Three-Dimensional Strontium-Based Metal-Organic Framework.
Authors of publication	Usman, Muhammad; Mendiratta, Shruti; Batjargal, Sainbileg; Haider, Golam; Hayashi, Michitoshi; Rao Gade, Narsinga; Chen, Jenq-Wei; Chen, Yang-Fang; Lu, Kuang-Lieh
Journal of publication	ACS applied materials & interfaces
Year of publication	2015
Journal volume	7
Journal issue	41
Pages of publication	22767 - 22774
a	6.8546 ± 0.0006 Å
b	7.0142 ± 0.0006 Å
c	10.762 ± 0.0008 Å
α	87.65 ± 0.005°
β	82.614 ± 0.005°
γ	72.056 ± 0.005°
Cell volume	488.18 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
273129 (current)	2022-02-23	cif/4 Fixing Z values and formulae	4516601.cif
239398	2019-11-24	cif/ Adding structures of 4516601 via cif-deposit CGI script.	4516601.cif