Crystallography Open Database

Information card for entry 7059823

Preview

Coordinates	7059823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H74 Cu3 N10 O7
Calculated formula	C70 H74 Cu3 N10 O7
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	14.798 ± 0.003 Å
b	15.401 ± 0.003 Å
c	16.328 ± 0.003 Å
α	107.44 ± 0.03°
β	116 ± 0.03°
γ	91.19 ± 0.03°
Cell volume	3140.2 ± 1.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1766
Residual factor for significantly intense reflections	0.1296
Weighted residual factors for significantly intense reflections	0.3859
Weighted residual factors for all reflections included in the refinement	0.4096
Goodness-of-fit parameter for all reflections included in the refinement	1.375
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.729 Å
Diffraction radiation type	synchrotron
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.	7059823.cif
254642	2020-07-29	cif/ Adding structures of 7059823, 7059824, 7059825 via cif-deposit CGI script.	7059823.cif