Crystallography Open Database

Information card for entry 7230245

Preview

Coordinates	7230245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Cl4 Hg2 N8 O4
Calculated formula	C40 H36 Cl4 Hg2 N8 O4
Title of publication	Mercury halide coordination polymers exhibiting reversible structural transformation
Authors of publication	Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	15
Pages of publication	2126
a	16.5711 ± 0.0007 Å
b	14.2773 ± 0.0005 Å
c	18.0085 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4260.6 ± 0.3 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7230245.html