Crystallography Open Database

Information card for entry 7061012

Preview

Coordinates	7061012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H72 Co4 Mo8 N16 O54
Calculated formula	C8 H72 Co4 Mo8 N16 O54
Title of publication	The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
Authors of publication	Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	42
Pages of publication	19764 - 19774
a	8.5113 ± 0.0001 Å
b	13.7625 ± 0.0002 Å
c	13.9561 ± 0.0002 Å
α	93.016 ± 0.001°
β	107.318 ± 0.001°
γ	103.223 ± 0.001°
Cell volume	1506.42 ± 0.04 Å³
Cell temperature	169.98 ± 0.1 K
Ambient diffraction temperature	169.98 ± 0.1 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	0.0656
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.171
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
270480 (current)	2021-11-06	cif/ Updating files of 7061007, 7061008, 7061009, 7061010, 7061011, 7061012, 7061013 Original log message: Adding full bibliography for 7061007--7061013.cif.	7061012.cif
269906	2021-10-13	cif/ Adding structures of 7061007, 7061008, 7061009, 7061010, 7061011, 7061012, 7061013 via cif-deposit CGI script.	7061012.cif