Crystallography Open Database

Information card for entry 7046008

Preview

Coordinates	7046008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 Cu N2 O8
Calculated formula	C42 H40 Cu N2 O8
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	11.7498 ± 0.0005 Å
b	10.8664 ± 0.0005 Å
c	15.2007 ± 0.0008 Å
α	90°
β	105 ± 0.002°
γ	90°
Cell volume	1874.66 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	7046008.cif
207289	2018-04-11	cif/ Adding structures of 7046007, 7046008, 7046009, 7046010, 7046011 via cif-deposit CGI script.	7046008.cif