Crystallography Open Database

Information card for entry 4501404

Preview

Coordinates	4501404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H62 Mo N16 O8 Pr
Calculated formula	C42 H62 Mo N16 O8 Pr
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	16.9844 ± 0.0012 Å
b	18.95 ± 0.002 Å
c	23.4842 ± 0.0016 Å
α	90°
β	125.795 ± 0.003°
γ	90°
Cell volume	6130.8 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0636
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
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.	4501404.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501404.cif
34890	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501404 via cif-deposit CGI script.	4501404.cif