Crystallography Open Database

Information card for entry 4336625

Preview

Coordinates	4336625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H50 Ce N2 O18
Calculated formula	C78 H50 Ce N2 O18
Title of publication	Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Series of Lanthanide-Organic Frameworks Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand
Authors of publication	Yan-Ping He; Yan-Xi Tan; Jian Zhang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12758 - 12762
a	35.7507 ± 0.0007 Å
b	16.3257 ± 0.0003 Å
c	13.1559 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7678.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336625.cif
102631	2014-02-21	cif/ Adding structures of 4336625 via cif-deposit CGI script.	4336625.cif