Crystallography Open Database

Information card for entry 1548530

Preview

Coordinates	1548530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H12 F6 N2 O6
Calculated formula	C25 H12 F6 N2 O6
SMILES	FC1(F)C(=C(Oc2ccc(N3C(=O)C=CC3=O)cc2)C(F)(F)C1(F)F)Oc1ccc(N2C(=O)C=CC2=O)cc1
Title of publication	Crystal structure, characterization and magnetic properties of a 1D copper(II) polymer incorporating a Schiff base with carboxylate side arm
Authors of publication	Shit, Shyamapada; Nandy, Madhusudan; Rizzoli, Corrado; Desplanches, Cédric; Mitra, Samiran
Journal of publication	Journal of Chemical Sciences
Year of publication	2016
Journal volume	128
Journal issue	6
Pages of publication	913 - 920
a	15.802 ± 0.003 Å
b	7.0481 ± 0.0016 Å
c	19.53 ± 0.004 Å
α	90°
β	96.341 ± 0.01°
γ	90°
Cell volume	2161.8 ± 0.8 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
210730 (current)	2018-09-10	cif/1/54/85/ Updating bibliography in entry 1548530.	1548530.cif
204451	2017-12-21	cif/ Adding structures of 1548530 via cif-deposit CGI script.	1548530.cif