Crystallography Open Database

Information card for entry 7047216

Preview

Coordinates	7047216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29.6 Ca2 Cu3 N9 O24.3
Calculated formula	C25 H29.6 Ca2 Cu3 N9 O24.3
Title of publication	2D and 3D mixed M<sup>II</sup>/Cu<sup>II</sup> metal-organic frameworks (M = Ca and Sr) with N,N'-2,6-pyridinebis(oxamate) and oxalate: preparation and magneto-structural study.
Authors of publication	Fernandes, Tamires S.; Melo, Wanessa D. C.; Kalinke, Lucas H. G.; Rabelo, Renato; Valdo, Ana K.; da Silva, Cameron C.; Martins, Felipe T.; Amorós, Pedro; Lloret, Francesc; Julve, Miguel; Cangussu, Danielle
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	33
Pages of publication	11539 - 11553
a	25.7295 ± 0.0018 Å
b	20.4448 ± 0.0018 Å
c	20.9078 ± 0.0015 Å
α	90°
β	107.05 ± 0.005°
γ	90°
Cell volume	10514.8 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0914
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.173
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
229414 (current)	2019-11-17	cif/ Updating files of 7047216, 7047217, 7047218 Original log message: Adding full bibliography for 7047216--7047218.cif.	7047216.cif
209409	2018-08-07	cif/ Adding structures of 7047216, 7047217, 7047218 via cif-deposit CGI script.	7047216.cif