Crystallography Open Database

Information card for entry 1540036

Preview

Coordinates	1540036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 F6 N4 O4 Zn
Calculated formula	C18 H14 F6 N4 O4 Zn
Title of publication	A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand
Authors of publication	Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1524
a	9.7675 ± 0.0012 Å
b	11.262 ± 0.0014 Å
c	11.576 ± 0.0014 Å
α	98.815 ± 0.001°
β	107.953 ± 0.001°
γ	112.944 ± 0.001°
Cell volume	1059.8 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181749 (current)	2016-04-05	cif/ Updating files of 1540034, 1540035, 1540036 Original log message: Adding full bibliography for 1540034--1540036.cif.	1540036.cif
169168	2015-10-15	cif/ Adding structures of 1540034, 1540035, 1540036 via cif-deposit CGI script.	1540036.cif