Crystallography Open Database

Information card for entry 4341873

Preview

Coordinates	4341873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H84 N2 Nd3 O31 P4
Calculated formula	C93.94 H73.86 N1.98 Nd3 O30.99 P4
Title of publication	Magnetism of Linear [Ln3](9+) Oxo-Bridged Clusters (Ln = Pr, Nd) Supported inside a [R3PR'](+) Phosphonium Coordination Material.
Authors of publication	Waggoner, Nolan W.; Saccoccia, Beau; Ibarra, Ilich A.; Lynch, Vincent M.; Wood, Paul T.; Humphrey, Simon M.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141203090646001
a	14.157 ± 0.003 Å
b	14.157 ± 0.003 Å
c	104.37 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	18115 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.2229
Weighted residual factors for all reflections included in the refinement	0.2445
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341873.cif
128264	2014-12-06	cif/ Adding structures of 4341873 via cif-deposit CGI script.	4341873.cif