Crystallography Open Database

Information card for entry 1551678

Preview

Coordinates	1551678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Mo2 N2 O8
Calculated formula	C20 H24 Mo2 N2 O8
SMILES	c1cc(CCc2ccncc2)cc[n]1[Mo]1234[O]=C(C)O[Mo]4([O]=C(C)O1)(OC(C)=[O]3)([O]=C(C)O2)[n](cc1)ccc1CCc1cc[n](cc1)[Mo]1234[O]=C(C)O[Mo]4([O]=C(C)O1)(OC(C)=[O]3)[O]=C(C)O2
Title of publication	Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Acetate and 1,2-Bis(4-pyridyl)ethane Aiming at N2-Adsorption Property
Authors of publication	MIKURIYA, Masahiro; KAIHARA, Noriaki; YAMAMOTO, Junya; TAKADA, Shohei; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto
Journal of publication	X-ray Structure Analysis Online
Year of publication	2013
Journal volume	29
Journal issue	0
Pages of publication	31
a	7.8313 ± 0.0012 Å
b	8.5393 ± 0.0013 Å
c	9.9498 ± 0.0014 Å
α	73.412 ± 0.003°
β	68.894 ± 0.002°
γ	73.198 ± 0.003°
Cell volume	581.86 ± 0.15 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	0.0387
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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
216289 (current)	2019-06-20	cif/ Adding structures of 1551678 via cif-deposit CGI script.	1551678.cif