Crystallography Open Database

Information card for entry 4313230

Preview

Coordinates	4313230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H94 Er N9 Ni2 O16
Calculated formula	C60.106 H70 Er N8.6 Ni2 O14.05
Title of publication	dlf Complexes with Uniform Coordination Geometry: Structural and Magnetic Properties of an LnNi2 Core Supported by a Heptadentate Amine Phenol Ligand
Authors of publication	Simon R. Bayly; Zhiquiang Xu; Brian O. Patrick; Steven J. Rettig; Maren Pink; Robert C. Thompson; Chris Orvig
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1576 - 1583
a	13.1044 ± 0.0012 Å
b	14.3002 ± 0.0015 Å
c	19.6105 ± 0.001 Å
α	75.027 ± 0.005°
β	83.182 ± 0.003°
γ	64.924 ± 0.001°
Cell volume	3215.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179188 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/32.	4313230.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313230.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313230.cif
6299	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313230 via cif-deposit CGI script.	4313230.cif