Crystallography Open Database

Information card for entry 4501401

Preview

Coordinates	4501401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H86 Mo2 N28 O9 Sm2
Calculated formula	C84 H86 Mo2 N28 O9 Sm2
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	36.4209 ± 0.0018 Å
b	36.4209 ± 0.0018 Å
c	16.7366 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	22201 ± 3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4501401.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501401.cif
34887	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501401 via cif-deposit CGI script.	4501401.cif