Crystallography Open Database

Information card for entry 7127127

Preview

Coordinates	7127127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H56 I6 O7 Sm2
Calculated formula	C28 H56 I6 O7 Sm2
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	12.8008 ± 0.0006 Å
b	12.0522 ± 0.0008 Å
c	28.7469 ± 0.0016 Å
α	90°
β	98.444 ± 0.005°
γ	90°
Cell volume	4386.9 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0408
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
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
257240 (current)	2020-10-06	cif/ Updating files of 7127127, 7127128, 7127129 Original log message: Adding full bibliography for 7127127--7127129.cif.	7127127.cif
255699	2020-08-28	cif/ Adding structures of 7127127, 7127128, 7127129 via cif-deposit CGI script.	7127127.cif