Crystallography Open Database

Information card for entry 7046011

Preview

Coordinates	7046011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H56 Cu2 N4 O9
Calculated formula	C71 H56 Cu2 N4 O9
Title of publication	Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand.
Authors of publication	Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	18
Pages of publication	6479 - 6493
a	13.6289 ± 0.0006 Å
b	25.4524 ± 0.0013 Å
c	34.1595 ± 0.0017 Å
α	90°
β	92.453 ± 0.001°
γ	90°
Cell volume	11838.7 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0709
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
229873 (current)	2019-11-17	cif/ Updating files of 7046007, 7046008, 7046009, 7046010, 7046011 Original log message: Adding full bibliography for 7046007--7046011.cif.	7046011.cif
207289	2018-04-11	cif/ Adding structures of 7046007, 7046008, 7046009, 7046010, 7046011 via cif-deposit CGI script.	7046011.cif