Crystallography Open Database

Information card for entry 4341068

Preview

Coordinates	4341068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H51 Er2 N9 O15
Calculated formula	C54 H51 Er2 N9 O15
Title of publication	Lanthanide Coordination Polymers with "fsy-type" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.
Authors of publication	Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10340 - 10346
a	16.1705 ± 0.0005 Å
b	8.6943 ± 0.0003 Å
c	20.8797 ± 0.0006 Å
α	90°
β	94.633 ± 0.003°
γ	90°
Cell volume	2925.91 ± 0.16 Å³
Cell temperature	127.1 ± 0.6 K
Ambient diffraction temperature	127.1 ± 0.6 K
Number of distinct elements	5
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	0.0513
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
179513 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/10.	4341068.cif
126989	2014-11-12	cif/ Updating files of 4341062, 4341063, 4341064, 4341065, 4341066, 4341067, 4341068 Original log message: Adding full bibliography for 4341062--4341068.cif.	4341068.cif
123264	2014-09-07	cif/ Adding structures of 4341062, 4341063, 4341064, 4341065, 4341066, 4341067, 4341068 via cif-deposit CGI script.	4341068.cif