Crystallography Open Database

Information card for entry 7056359

Preview

Coordinates	7056359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H51 Cu4 I4 N7 O6
Calculated formula	C71 H50.9997 Cu4 I4 N7 O6
Title of publication	Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct
Authors of publication	razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	15
Pages of publication	7598 - 7604
a	15.7192 ± 0.0013 Å
b	15.7192 ± 0.0013 Å
c	15.4669 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	3309.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056359.cif
198109	2017-06-23	cif/ Adding structures of 7056359, 7056360, 7056361 via cif-deposit CGI script.	7056359.cif