Crystallography Open Database

Information card for entry 4346808

Preview

Coordinates	4346808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Cu2 I2 N4 P2
Calculated formula	C32 H26 Cu2 I2 N4 P2
SMILES	c1cccc2[n]1[Cu]1(I)[n]3ccccc3[P]2(c2ccccc2)[Cu]2(I)[n]3c([P]1(c1cccc[n]21)c1ccccc1)cccc3
Title of publication	Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.
Authors of publication	Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	1978 - 1985
a	9.209 ± 0.005 Å
b	9.664 ± 0.006 Å
c	9.664 ± 0.004 Å
α	91.015 ± 0.011°
β	92.098 ± 0.009°
γ	112.038 ± 0.017°
Cell volume	796.2 ± 0.7 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0263
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
231995 (current)	2019-11-23	cif/ Adding structures of 4346808, 4346809, 4346810, 4346811, 4346812 via cif-deposit CGI script.	4346808.cif