Crystallography Open Database

Information card for entry 4347138

Preview

Coordinates	4347138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H62 Cu2 N10 O16
Calculated formula	C34 H62 Cu2 N10 O16
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	22.407 ± 0.003 Å
b	15.961 ± 0.002 Å
c	16.0589 ± 0.0018 Å
α	90°
β	116.624 ± 0.002°
γ	90°
Cell volume	5134.3 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1214
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.3062
Weighted residual factors for all reflections included in the refinement	0.3389
Goodness-of-fit parameter for all reflections included in the refinement	1.303
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.	4347138.cif