Crystallography Open Database

Information card for entry 4038956

Preview

Coordinates	4038956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 N14 O26 Sm2
Calculated formula	C16 H36 N14 O26 Sm2
Title of publication	New binuclear bis(2,4,6,8-tetramethyl-2,4,6,8-tetraazobicyclo(3.3.0)octane-3,7-dione-O,O')-tetraaqua-hexakis(nitrato-O,O')-disamarium(III) complex: Synthesis and crystal structure
Authors of publication	Netreba, E.E.; Sarnit, E.A.; Shabanov, S.V.; Velikozhon, A.A.
Journal of publication	Russian Journal of Inorganic Chemistry
Year of publication	2017
Journal volume	62
Journal issue	5
Pages of publication	654 - 658
a	9.8661 ± 0.0002 Å
b	10.2913 ± 0.0003 Å
c	10.9629 ± 0.0003 Å
α	74.475 ± 0.002°
β	67.802 ± 0.002°
γ	67.57 ± 0.002°
Cell volume	942.68 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0155
Residual factor for significantly intense reflections	0.0146
Weighted residual factors for significantly intense reflections	0.0378
Weighted residual factors for all reflections included in the refinement	0.0381
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
282194 (current)	2023-04-02	cif/4/03/89/ (saulius@tasmanijos-velnias) Adding DOI to 4038956.	4038956.cif
269570	2021-10-05	cif/ Adding structures of 4038956 via cif-deposit CGI script.	4038956.cif