Crystallography Open Database

Information card for entry 4336744

Preview

Coordinates	4336744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Cu2 I2 O2 P2 S2
Calculated formula	C40 H42 Cu2 I2 O2 P2 S2
SMILES	c1(ccccc1)[P](c1ccccc1)([Cu]1([I][Cu]([I]1)([O]=S(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[O]=S(C)C)c1ccccc1
Title of publication	Photo- and Vapor-Controlled Luminescence of Rhombic Dicopper(I) Complexes Containing Dimethyl Sulfoxide
Authors of publication	Atsushi Kobayashi; Kahori Komatsu; Hiroki Ohara; Waka Kamada; Yuko Chishina; Kiyoshi Tsuge; Ho-Chol Chang; Masako Kato
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13188 - 13198
a	8.627 ± 0.003 Å
b	9.354 ± 0.003 Å
c	14.551 ± 0.004 Å
α	91.046 ± 0.003°
β	103.948 ± 0.003°
γ	116.074 ± 0.003°
Cell volume	1013.2 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.027
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179470 (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 4/33/67.	4336744.cif
102761	2014-02-22	cif/ Adding structures of 4336744 via cif-deposit CGI script.	4336744.cif