Crystallography Open Database

Information card for entry 7219336

7219335 << 7219336 >> 7219337

Preview

Coordinates	7219336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H180 Cu6 N12 O113 Tb4
Calculated formula	C94 H127 Cu6 N12 O113 Tb4
Title of publication	Two series of novel 3D potentially porous heterometallic Cu‒Ln coordination frameworks assembled by 3,4-Pyridinedicarboxylic acid with different topologies and channels: syntheses, structures, luminescence and magnetic properties
Authors of publication	Liu, Xuan-Wen; Guo, Rui; Liu, He; Yu, Ye-Qi; Qi, Wei Xi; Xu, Jing-Yuan; Xie, Cheng-Zhi
Journal of publication	RSC Adv.
Year of publication	2015
a	13.934 ± 0.003 Å
b	30.722 ± 0.006 Å
c	20.494 ± 0.004 Å
α	90°
β	98.71 ± 0.03°
γ	90°
Cell volume	8672 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
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	0.067
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219336.cif
130008	2015-01-20	cif/ Adding structures of 7219332, 7219333, 7219334, 7219335, 7219336 via cif-deposit CGI script.	7219336.cif