Crystallography Open Database

Information card for entry 1561334

Preview

Coordinates	1561334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Hg2 O6 P2
Calculated formula	C12 H10 Hg2 O6 P2
SMILES	[Hg](OP(=O)(O)c1ccccc1)[Hg]OP(=O)(O)c1ccccc1
Title of publication	Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates
Authors of publication	Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	243
Pages of publication	83 - 94
a	35.13 ± 0.003 Å
b	5.5269 ± 0.0004 Å
c	7.8852 ± 0.0006 Å
α	90°
β	95.245 ± 0.007°
γ	90°
Cell volume	1524.6 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
263417 (current)	2021-03-29	cif/ Adding structures of 1561334, 1561335, 1561336, 1561337, 1561338, 1561339, 1561340, 1561341, 1561342, 1561343, 1561344, 1561345 via cif-deposit CGI script.	1561334.cif