Crystallography Open Database

Information card for entry 7048350

Preview

Coordinates	7048350.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	complex of copper(I) iodide with methyltri(pyridin-2-yl)phosphonium iodide
Formula	C36 H36 Cu4 I6 N8 P2
Calculated formula	C36 H36 Cu4 I6 N8 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	9.4058 ± 0.0003 Å
b	14.5684 ± 0.0005 Å
c	35.3521 ± 0.0011 Å
α	90°
β	94.482 ± 0.001°
γ	90°
Cell volume	4829.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0858
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
224304 (current)	2019-11-08	cif/ Updating files of 7048350, 7048351, 7048352, 7048353 Original log message: Adding full bibliography for 7048350--7048353.cif.	7048350.cif
212541	2018-12-12	cif/ Adding structures of 7048350, 7048351, 7048352, 7048353 via cif-deposit CGI script.	7048350.cif