Crystallography Open Database

Information card for entry 7700193

Preview

Coordinates	7700193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Cu3 N12 O6
Calculated formula	C42 H28 Cu3 N12 O6
Title of publication	On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives.
Authors of publication	Simões, Tatiana R G; Marinho, Maria Vanda; Pasán, Jorge; Stumpf, Humberto O.; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	27
Pages of publication	10260 - 10274
a	18.7715 ± 0.0005 Å
b	13.3743 ± 0.0003 Å
c	15.266 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3832.62 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
223878 (current)	2019-11-07	cif/ Updating files of 7700191, 7700192, 7700193, 7700194 Original log message: Adding full bibliography for 7700191--7700194.cif.	7700193.cif
215736	2019-06-07	cif/ Adding structures of 7700191, 7700192, 7700193, 7700194 via cif-deposit CGI script.	7700193.cif