Crystallography Open Database

Information card for entry 4506599

Preview

Coordinates	4506599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 Dy4 O35
Calculated formula	C54 H46 Dy4 O35
Title of publication	Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid
Authors of publication	Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5203
a	7.7172 ± 0.0006 Å
b	16.6793 ± 0.0013 Å
c	21.1778 ± 0.0018 Å
α	92.602 ± 0.007°
β	91.406 ± 0.006°
γ	90.705 ± 0.006°
Cell volume	2722.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1383
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2242
Weighted residual factors for all reflections included in the refinement	0.2457
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
179601 (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 4/50/65.	4506599.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506599.cif
71424	2013-01-19	cif/ Correcting misattributed bibliographies in the CIFs deposited yesterday by me.	4506599.cif
71392	2013-01-18	cif/ Adding structures of 4506598, 4506599, 4506600, 4506601, 4506602, 4506603, 4506604 via cif-deposit CGI script.	4506599.cif