Crystallography Open Database

Information card for entry 1562082

1562081 << 1562082 >> 1562083

Preview

Coordinates	1562082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Br2 Hg N2 O4
Calculated formula	C14 H12 Br2 Hg N2 O4
SMILES	[Hg](Br)(Br)([n]1cc(C(=O)OCCOC(=O)c2c[n]([Hg](Br)Br)ccc2)ccc1)[n]1cc(C(=O)OCCOC(=O)c2cnccc2)ccc1
Title of publication	Mercury coordination polymers with flexible ethane-1,2-diyl-bis-(pyridyl-3-carboxylate): Synthesis, structures, thermal and luminescent properties
Authors of publication	Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Llanos, Jaime; Bolte, Michael; López-Rodríguez, Matías
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	223
Pages of publication	17 - 22
a	22.7861 ± 0.0014 Å
b	4.9181 ± 0.0004 Å
c	15.3032 ± 0.001 Å
α	90°
β	104.238 ± 0.005°
γ	90°
Cell volume	1662.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0365
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
265221 (current)	2021-05-14	cif/ Removed the '_chemical_name_systematic' data item that had clearly incorrect values from entries 1552230, 1562082, 4349529, 7059902.	1562082.cif
264527	2021-04-26	cif/ Adding structures of 1562081, 1562082 via cif-deposit CGI script.	1562082.cif