Crystallography Open Database

Information card for entry 1551675

Preview

Coordinates	1551675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 Mo2 N2 O8
Calculated formula	C40 H30 Mo2 N2 O8
SMILES	[Mo]1234[O]=C(c5ccccc5)O[Mo]4([O]=C(c4ccccc4)O1)(OC(c1ccccc1)=[O]3)([O]=C(c1ccccc1)O2)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Mo]1234[O]=C(c5ccccc5)O[Mo]4([O]=C(c4ccccc4)O1)(OC(c1ccccc1)=[O]3)([O]=C(c1ccccc1)O2)[n]1ccc(cc1)/C=C/c1ccncc1
Title of publication	Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Benzoate with 1,2-Bis(4-pyridyl)ethylene Having an N2-Adsorption Property
Authors of publication	MIKURIYA, Masahiro; KAIHARA, Noriaki; ONO, Takashi; TANAKA, Yusuke; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto
Journal of publication	X-ray Structure Analysis Online
Year of publication	2014
Journal volume	30
Journal issue	0
Pages of publication	41
a	8.2328 ± 0.001 Å
b	10.5428 ± 0.0013 Å
c	12.0915 ± 0.0016 Å
α	114.438 ± 0.002°
β	90.934 ± 0.002°
γ	108.726 ± 0.002°
Cell volume	891.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0534
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
216286 (current)	2019-06-20	cif/ Adding structures of 1551675 via cif-deposit CGI script.	1551675.cif