Crystallography Open Database

Information card for entry 7706199

Preview

Coordinates	7706199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Br2 Fe N6 O4 Pd
Calculated formula	C16 H18 Br2 Fe N6 O4 Pd
Title of publication	Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.
Authors of publication	Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	4
Pages of publication	1384 - 1389
a	7.4285 ± 0.0007 Å
b	7.4285 ± 0.0007 Å
c	13.648 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	753.13 ± 0.19 Å³
Cell temperature	249.99 ± 0.11 K
Ambient diffraction temperature	249.99 ± 0.11 K
Number of distinct elements	7
Space group number	83
Hermann-Mauguin space group symbol	P 4/m
Hall space group symbol	-P 4
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.2145
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
261653 (current)	2021-02-05	cif/ Updating files of 7706197, 7706198, 7706199, 7706200 Original log message: Adding full bibliography for 7706197--7706200.cif.	7706199.cif
260135	2020-12-24	cif/ Adding structures of 7706197, 7706198, 7706199, 7706200 via cif-deposit CGI script.	7706199.cif