Crystallography Open Database

Information card for entry 7700069

Preview

Coordinates	7700069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H8 Fe0.5 N3 S2 Se
Calculated formula	C11 H8 Fe0.5 N3 S2 Se
Title of publication	Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.
Authors of publication	Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9243 - 9249
a	9.6098 ± 0.0004 Å
b	10.6898 ± 0.0004 Å
c	11.3119 ± 0.0004 Å
α	62.116 ± 0.004°
β	65.922 ± 0.004°
γ	78.656 ± 0.003°
Cell volume	937.73 ± 0.08 Å³
Cell temperature	240.03 ± 0.1 K
Ambient diffraction temperature	240.03 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
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
224210 (current)	2019-11-08	cif/ Updating files of 7700066, 7700067, 7700068, 7700069, 7700070, 7700071 Original log message: Adding full bibliography for 7700066--7700071.cif.	7700069.cif
215511	2019-05-25	cif/ Adding structures of 7700066, 7700067, 7700068, 7700069, 7700070, 7700071 via cif-deposit CGI script.	7700069.cif