Crystallography Open Database

Information card for entry 4335612

Preview

Coordinates	4335612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H39 B Cl2 Cu F4 N5
Calculated formula	C41.176 H38.352 B Cl2.352 Cu F4 N5
Title of publication	Structural Modification on Copper(I)-pyridylpyrimidine Complexes for Modulation of Rotational Dynamics, Redox Properties, and Phototriggered Isomerization
Authors of publication	Michihiro Nishikawa; Yusuke Takara; Yohei Hattori; Kuniharu Nomoto; Tetsuro Kusamoto; Shoko Kume; Hiroshi Nishihara
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8962 - 8970
a	12.697 ± 0.003 Å
b	14.305 ± 0.003 Å
c	14.914 ± 0.003 Å
α	59.712 ± 0.009°
β	65.777 ± 0.009°
γ	79.91 ± 0.012°
Cell volume	2131.4 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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 significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.3197
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179459 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56.	4335612.cif
101547	2014-02-14	cif/ Adding structures of 4335612 via cif-deposit CGI script.	4335612.cif