Crystallography Open Database

Information card for entry 7059824

Preview

Coordinates	7059824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 Cu4 F6 N12 O14 S2
Calculated formula	C62 H54 Cu4 F6 N12 O14 S2
Title of publication	Synthesis of unsymmetrical 1,8-naphthyridine-based ligands for the assembly of tri-and tetra-nuclear copper(ii) complexes
Authors of publication	Bacher, Felix; Isaac, James A.; Philouze, Christian; Flot, David; Thibon-Pourret, Aurore; Belle, Catherine
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	39
Pages of publication	16713 - 16720
a	22.475 ± 0.005 Å
b	12.394 ± 0.003 Å
c	22.723 ± 0.005 Å
α	90°
β	91.06 ± 0.03°
γ	90°
Cell volume	6329 ± 3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation probe	x-ray
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
258908 (current)	2020-11-06	cif/ Updating files of 7059823, 7059824, 7059825 Original log message: Adding full bibliography for 7059823--7059825.cif.	7059824.cif
254642	2020-07-29	cif/ Adding structures of 7059823, 7059824, 7059825 via cif-deposit CGI script.	7059824.cif