Crystallography Open Database

Information card for entry 1551677

Preview

Coordinates	1551677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Mo2 N2 O8
Calculated formula	C20 H22 Mo2 N2 O8
SMILES	[Mo]1234[O]=C(C)O[Mo]4(OC(C)=[O]1)([O]=C(C)O2)([O]=C(C)O3)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Mo]1234[O]=C(C)O[Mo]4(OC(C)=[O]1)([O]=C(C)O2)([O]=C(C)O3)[n]1ccc(cc1)/C=C/c1ccncc1
Title of publication	Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Acetate and trans-1,2-Bis(4-pyridyl)ethylene in Relation to the N2-Adsorption Property
Authors of publication	MIKURIYA, Masahiro; 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	33
a	7.6144 ± 0.0015 Å
b	8.48 ± 0.0016 Å
c	9.714 ± 0.0019 Å
α	99.026 ± 0.003°
β	112.749 ± 0.003°
γ	103.21 ± 0.003°
Cell volume	541.72 ± 0.18 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.037
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
216288 (current)	2019-06-20	cif/ Adding structures of 1551677 via cif-deposit CGI script.	1551677.cif