Crystallography Open Database

Information card for entry 4346809

Preview

Coordinates	4346809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 Cu2 I2 N6 P2
Calculated formula	C46 H36 Cu2 I2 N6 P2
SMILES	c1[n]2[Cu]3(I)[P]4(c5ccccc5)c5cccc[n]5[Cu](I)([n]5ccccc45)[P](c2ccc1)(c1cccc[n]31)c1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1
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	9.245 ± 0.007 Å
b	14.413 ± 0.011 Å
c	16.143 ± 0.012 Å
α	90°
β	96.8169 ± 0.001°
γ	90°
Cell volume	2136 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	4346809.cif