Crystallography Open Database

Information card for entry 7243294

Preview

Coordinates	7243294.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[N'-(2-oxo-4-hydroxybenzylidene)isonicotinoylhydrazonato](acetonitrile)dioxomolybdenum(vi) hexamolybdate acetonitrile solvate
Formula	C34 H32 Mo8 N10 O29
Calculated formula	C34 H32 Mo8 N10 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	21.0479 ± 0.0004 Å
b	8.6686 ± 0.0002 Å
c	29.2039 ± 0.0005 Å
α	90°
β	95.92 ± 0.002°
γ	90°
Cell volume	5300 ± 0.18 Å³
Cell temperature	169.98 ± 0.1 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7243294.cif
267820	2021-07-30	cif/ Adding structures of 7243285, 7243286, 7243287, 7243288, 7243289, 7243290, 7243291, 7243292, 7243293, 7243294 via cif-deposit CGI script.	7243294.cif