Crystallography Open Database

Information card for entry 4347137

Preview

Coordinates	4347137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38.4 Cu2 K N8 Na O16.2
Calculated formula	C26 H40.4 Cu2 K N8 Na O16.2
Title of publication	Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.
Authors of publication	Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	2390 - 2401
a	22.521 ± 0.018 Å
b	13.22 ± 0.018 Å
c	24.87 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	7404 ± 15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
232181 (current)	2019-11-23	cif/ Adding structures of 4347137, 4347138, 4347139 via cif-deposit CGI script.	4347137.cif