Crystallography Open Database

Information card for entry 1551570

Preview

Coordinates	1551570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Cu F18 Mo3 N4 O15
Calculated formula	C38 H28 Cu F18 Mo3 N4 O15
Title of publication	Crystal Structure of a Supramolecular Complex Built up from Molybdenum(II) Trifluoroacetate and Copper(II) Schiff-Base Components, [{CuL<sup>t-Bu</sup>}<sub>2</sub>{Mo<sub>2</sub>(O<sub>2</sub>CCF<sub>3</sub>)<sub>4</sub>}<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub>, H<sub>2</sub>L<sup>t-Bu</sup> = 2,3-bis((5-<i>tert</i>-butyl-2-hydroxybenzylidene)amino)-2,3-butenedinitrile
Authors of publication	HANDA, Makoto; KAMADA, Hiroshi; YOSHIOKA, Daisuke; HIROMITSU, Ichiro; KASUGA, Kuninobu; MIKURIYA, Masahiro
Journal of publication	X-ray Structure Analysis Online
Year of publication	2018
Journal volume	34
Journal issue	0
Pages of publication	59
a	12.1206 ± 0.0012 Å
b	14.9911 ± 0.0014 Å
c	16.8782 ± 0.0016 Å
α	106.871 ± 0.001°
β	98.131 ± 0.002°
γ	109.68 ± 0.001°
Cell volume	2664.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1105
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216180 (current)	2019-06-20	cif/ Adding structures of 1551570 via cif-deposit CGI script.	1551570.cif