Crystallography Open Database

Information card for entry 1562081

1562080 << 1562081 >> 1562082

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Coordinates	1562081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Hg I2 N2 O4
Calculated formula	C14 H12 Hg I2 N2 O4
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	5.2933 ± 0.0003 Å
b	28.014 ± 0.001 Å
c	12.4125 ± 0.0006 Å
α	90°
β	95.283 ± 0.004°
γ	90°
Cell volume	1832.79 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
264527 (current)	2021-04-26	cif/ Adding structures of 1562081, 1562082 via cif-deposit CGI script.	1562081.cif