Crystallography Open Database

Information card for entry 7127129

Preview

Coordinates	7127129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.6 H99.4 I8 N2 O29 Sm6
Calculated formula	C37.6 H99.4 I8 N2 O29 Sm6
Title of publication	Complete denitrification of nitrate and nitrite to N<sub>2</sub> gas by samarium(II) iodide.
Authors of publication	Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	77
Pages of publication	11441 - 11444
a	14.2715 ± 0.0004 Å
b	22.8583 ± 0.0006 Å
c	14.2693 ± 0.0003 Å
α	90°
β	90.739 ± 0.002°
γ	90°
Cell volume	4654.6 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0619
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.263
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

Version history

Revision	Date	Message	Files
257240 (current)	2020-10-06	cif/ Updating files of 7127127, 7127128, 7127129 Original log message: Adding full bibliography for 7127127--7127129.cif.	7127129.cif
255699	2020-08-28	cif/ Adding structures of 7127127, 7127128, 7127129 via cif-deposit CGI script.	7127129.cif