Crystallography Open Database

Information card for entry 7711712

Preview

Coordinates	7711712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 Mo2 N3 O9 S2
Calculated formula	C14 H17 Mo2 N3 O9 S2
SMILES	[Mo]12(S[Mo]3(S1)(OC(=O)CO3)=O)([OH]CC(=O)O2)([OH2])=O.[nH+]1c(Nc2ncccc2)cccc1
Title of publication	Binuclear, tetranuclear and hexadecanuclear thio-oxomolybdenum(V/IV) glycolates with selective adsorptions of gases.
Authors of publication	Lin, Rong-Yan; Deng, Lan; An, Dong-Li; Zhou, Zhao-Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	562 - 571
a	6.8529 ± 0.0003 Å
b	10.7593 ± 0.0004 Å
c	14.1435 ± 0.0006 Å
α	74.526 ± 0.003°
β	85.918 ± 0.003°
γ	89.947 ± 0.003°
Cell volume	1002.31 ± 0.07 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283349 (current)	2023-05-05	cif/ Updating files of 7711711, 7711712, 7711713, 7711714 Original log message: Adding full bibliography for 7711711--7711714.cif.	7711712.cif
279124	2022-11-09	cif/ Adding structures of 7711711, 7711712, 7711713, 7711714 via cif-deposit CGI script.	7711712.cif