Crystallography Open Database

Information card for entry 4306849

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Coordinates	4306849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H48 Br2 Cu2 P4
Calculated formula	C60 H48 Br2 Cu2 P4
SMILES	[Br]1[Cu]2([Br][Cu]31[P](c1ccccc1[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Photophysical Properties of Highly Luminescent Copper(I) Halide Complexes Chelated with 1,2-Bis(diphenylphosphino)benzene
Authors of publication	Akira Tsuboyama; Katsuaki Kuge; Manabu Furugori; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1992 - 2001
a	11.2 ± 0.01 Å
b	18.73 ± 0.02 Å
c	12.12 ± 0.01 Å
α	90°
β	97.59 ± 0.04°
γ	90°
Cell volume	2520 ± 4 Å³
Cell temperature	100.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.396
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4306849.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306849.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306849.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306849.cif