Crystallography Open Database

Information card for entry 7706198

Preview

Coordinates	7706198.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	7.2533 ± 0.0005 Å
b	7.2533 ± 0.0005 Å
c	13.346 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	702.14 ± 0.13 Å³
Cell temperature	99.9 ± 0.5 K
Ambient diffraction temperature	99.9 ± 0.5 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	0.1061
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2282
Weighted residual factors for all reflections included in the refinement	0.2448
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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

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