Crystallography Open Database

Information card for entry 7048351

Preview

Coordinates	7048351.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	complex of copper(I) iodide with butyltri(pyridin-2-yl)phosphonium iodide
Formula	C38 H42 Cu4 I6 N6 P2
Calculated formula	C38 H42 Cu4 I6 N6 P2
Title of publication	Alkyl-dependent self-assembly of the first red-emitting zwitterionic {Cu<sub>4</sub>I<sub>6</sub>} clusters from [alkyl-P(2-Py)<sub>3</sub>]<sup>+</sup> salts and CuI: when size matters.
Authors of publication	Artem'ev, Alexander V.; Pritchina, Elena A.; Rakhmanova, Marianna I.; Gritsan, Nina P.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	7
Pages of publication	2328 - 2337
a	10.2369 ± 0.0013 Å
b	11.99 ± 0.0014 Å
c	12.2061 ± 0.0015 Å
α	118.729 ± 0.005°
β	93.281 ± 0.006°
γ	107.283 ± 0.006°
Cell volume	1218.1 ± 0.3 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 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	0.076
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1792
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224304 (current)	2019-11-08	cif/ Updating files of 7048350, 7048351, 7048352, 7048353 Original log message: Adding full bibliography for 7048350--7048353.cif.	7048351.cif
212541	2018-12-12	cif/ Adding structures of 7048350, 7048351, 7048352, 7048353 via cif-deposit CGI script.	7048351.cif