Crystallography Open Database

Information card for entry 7712405

Preview

Coordinates	7712405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H2 Fe K2 N6 O Sr
Calculated formula	C6 H2 Fe K2 N6 O Sr
Title of publication	Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates
Authors of publication	Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.8435 ± 0.0006 Å
b	7.7597 ± 0.0003 Å
c	12.0631 ± 0.0006 Å
α	90°
β	112.628 ± 0.005°
γ	90°
Cell volume	1196.08 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0405
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
281139 (current)	2023-02-25	cif/ Adding structures of 7712401, 7712402, 7712403, 7712404, 7712405, 7712406, 7712407 via cif-deposit CGI script.	7712405.cif