Crystallography Open Database

Information card for entry 7215484

Preview

Coordinates	7215484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Mo2 N16
Calculated formula	C44 H36 Mo2 N16
SMILES	c1(ccncc1)[N]1=CN(c2ccncc2)[Mo]234[Mo]1(N(c1ccncc1)C=[N]2c1ccncc1)(N(C=[N]3c1ccncc1)c1ccncc1)N(C=[N]4c1ccncc1)c1ccncc1
Title of publication	Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands
Authors of publication	Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	32
Pages of publication	7385
a	17.9447 ± 0.0004 Å
b	19.1082 ± 0.0004 Å
c	11.5533 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3961.52 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7215484.cif
121628	2014-08-08	cif/ Updating files of 7215484, 7215485, 7215486, 7215487 Original log message: Adding full bibliography for 7215484--7215487.cif.	7215484.cif
112296	2014-04-30	cif/ Adding structures of 7215484, 7215485, 7215486, 7215487 via cif-deposit CGI script.	7215484.cif