Crystallography Open Database

Information card for entry 7111904

7111903 << 7111904 >> 7111905

Preview

Coordinates	7111904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H53 Cu P2 S
Calculated formula	C48 H53 Cu P2 S
SMILES	[Cu]1(Sc2ccccc2)[P](c2ccccc2[P]1(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C)(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C
Title of publication	Highly efficient blue-green delayed fluorescence from copper(I) thiolate complexes: luminescence color alteration by orientation change of the aryl ring
Authors of publication	Masahisa Osawa
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1801
a	13.8491 ± 0.0001 Å
b	21.0479 ± 0.0002 Å
c	14.1578 ± 0.0001 Å
α	90°
β	91.5815 ± 0.0006°
γ	90°
Cell volume	4125.35 ± 0.06 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
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	0.0366
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180233 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/19.	7111904.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111904.cif
103142	2014-02-25	cif/ Adding structures of 7111903, 7111904 via cif-deposit CGI script.	7111904.cif