Crystallography Open Database

Information card for entry 4506834

Preview

Coordinates	4506834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H36 Eu3 N13 O21
Calculated formula	C60 H36 Eu3 N13 O21
Title of publication	Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission
Authors of publication	Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5227
a	10.9521 ± 0.0009 Å
b	21.753 ± 0.002 Å
c	24.219 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5770 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1227
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2255
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179604 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/68.	4506834.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506834.cif
71837	2013-01-21	cif/ Adding structures of 4506834 via cif-deposit CGI script.	4506834.cif