Crystallography Open Database

Information card for entry 4347139

Preview

Coordinates	4347139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 Cl2 Cu2 N6 Na6 O27
Calculated formula	C18 H36 Cl2 Cu2 N6 Na6 O27
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	13.0966 ± 0.0008 Å
b	21.1127 ± 0.0013 Å
c	14.9035 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4120.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
232181 (current)	2019-11-23	cif/ Adding structures of 4347137, 4347138, 4347139 via cif-deposit CGI script.	4347139.cif