Crystallography Open Database

Information card for entry 1562876

Preview

Coordinates	1562876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 Cd2 N12 O16
Calculated formula	C66 H56 Cd2 N12 O16
SMILES	c1ccc2ccc3ccc[n]4c3c2[n]1[Cd]124([n]3cccc4ccc5ccc[n]1c5c34)[O]=C(O[Cd]13([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]3c5c14)[O]=C(O2)c1cc2nc[nH]c2cc1C(=O)[O-])c1cc2nc[nH]c2cc1C(=O)[O-].O.O.O.O.O.O.O.O
Title of publication	Syntheses, structures and luminescent properties of zero-/two-dimensional Cd(II) and Eu(III) complexes
Authors of publication	Fan, Rui-Qing; Wang, Li-Yuan; Wang, Ping; Chen, Hong; Sun, Cun-fa; Yang, Yu-Lin; Su, Qing
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	196
Pages of publication	332 - 340
a	10.26 ± 0.002 Å
b	12.28 ± 0.003 Å
c	13.63 ± 0.003 Å
α	64.06 ± 0.03°
β	89.36 ± 0.03°
γ	87.26 ± 0.03°
Cell volume	1542.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
265503 (current)	2021-05-26	cif/ Adding structures of 1562876, 1562877, 1562878 via cif-deposit CGI script.	1562876.cif