Crystallography Open Database

Information card for entry 4501403

Preview

Coordinates	4501403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 N14 O4 Sm W
Calculated formula	C46 H50 N14 O4 Sm W
Title of publication	Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains
Authors of publication	Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5676
a	15.289 ± 0.0015 Å
b	20.5 ± 0.0016 Å
c	21.715 ± 0.0012 Å
α	90°
β	123.397 ± 0.003°
γ	90°
Cell volume	5682.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179545 (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 4/50/14.	4501403.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501403.cif
34889	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501403 via cif-deposit CGI script.	4501403.cif