Crystallography Open Database

Information card for entry 4313228

Preview

Coordinates	4313228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H88 Cl N8 Ni2 O16 Pr
Calculated formula	C59 H66 Cl N8 Ni2 O16 Pr
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	31.892 ± 0.003 Å
b	16.3008 ± 0.0007 Å
c	30.66 ± 0.003 Å
α	90°
β	122.064 ± 0.002°
γ	90°
Cell volume	13507.7 ± 1.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4313228.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313228.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313228.cif
6297	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313228 via cif-deposit CGI script.	4313228.cif