Crystallography Open Database

Information card for entry 7243285

Preview

Coordinates	7243285.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetrakis(((aquo)-N-(2-oxo-3-hydroxybenzylidene)isonicotinylhydrazonato)dioxomolybdenum(vi)) octamolybdate acetonitrile solvate hydrate
Formula	C56 H62 Mo12 N14 O54
Calculated formula	C56 H62 Mo12 N14 O54
Title of publication	Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study
Authors of publication	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	36
Pages of publication	6349 - 6358
a	11.0881 ± 0.0002 Å
b	33.6789 ± 0.0005 Å
c	12.0491 ± 0.0002 Å
α	90°
β	108.137 ± 0.002°
γ	90°
Cell volume	4275.99 ± 0.13 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	5
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	0.0503
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
269676 (current)	2021-10-06	cif/ Updating files of 7243285, 7243286, 7243287, 7243288, 7243289, 7243290, 7243291, 7243292, 7243293, 7243294 Original log message: Adding full bibliography for 7243285--7243294.cif.	7243285.cif
267820	2021-07-30	cif/ Adding structures of 7243285, 7243286, 7243287, 7243288, 7243289, 7243290, 7243291, 7243292, 7243293, 7243294 via cif-deposit CGI script.	7243285.cif