Crystallography Open Database

Information card for entry 7243288

Preview

Coordinates	7243288.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis((acetonitrile)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate
Formula	C38 H38 Mo8 N12 O29
Calculated formula	C38 H38 Mo8 N12 O29
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	9.3622 ± 0.0007 Å
b	10.7026 ± 0.0009 Å
c	15.853 ± 0.001 Å
α	106.074 ± 0.006°
β	92.475 ± 0.006°
γ	107.934 ± 0.007°
Cell volume	1437.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1813
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
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.	7243288.cif
267820	2021-07-30	cif/ Adding structures of 7243285, 7243286, 7243287, 7243288, 7243289, 7243290, 7243291, 7243292, 7243293, 7243294 via cif-deposit CGI script.	7243288.cif