Crystallography Open Database

Information card for entry 7700194

Preview

Coordinates	7700194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Br2 Cu3 N6 O6
Calculated formula	C38 H28 Br2 Cu3 N6 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	10.5542 ± 0.0007 Å
b	12.644 ± 0.0012 Å
c	18.2708 ± 0.001 Å
α	80.961 ± 0.006°
β	75.904 ± 0.005°
γ	70.354 ± 0.007°
Cell volume	2219.5 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	7700194.cif
215736	2019-06-07	cif/ Adding structures of 7700191, 7700192, 7700193, 7700194 via cif-deposit CGI script.	7700194.cif