Crystallography Open Database

Information card for entry 7703042

Preview

Coordinates	7703042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H94 Ag2 Br2 Mo8 N6 O28
Calculated formula	C48 H94 Ag2 Br2 Mo8 N6 O28
Title of publication	[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.
Authors of publication	Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1522 - 1530
a	13.8102 ± 0.0016 Å
b	19.359 ± 0.0007 Å
c	15.2005 ± 0.0011 Å
α	90°
β	116.826 ± 0.012°
γ	90°
Cell volume	3626.5 ± 0.6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
248942 (current)	2020-03-05	cif/ Updating files of 7703041, 7703042, 7703043, 7703044, 7703045, 7703046, 7703047, 7703048, 7703049, 7703050, 7703051 Original log message: Adding full bibliography for 7703041--7703051.cif.	7703042.cif
246215	2019-12-27	cif/ Adding structures of 7703041, 7703042, 7703043, 7703044, 7703045, 7703046, 7703047, 7703048, 7703049, 7703050, 7703051 via cif-deposit CGI script.	7703042.cif