Crystallography Open Database

Information card for entry 4338580

Preview

Coordinates	4338580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H60 Gd N7 Ni2 O15
Calculated formula	C58 H60 Gd N7 Ni2 O15
Title of publication	Experimental Evidence for the Participation of 5d Gd^III^ Orbitals in the Magnetic Interaction in Ni‒Gd Complexes
Authors of publication	Costes, Jean-Pierre; Yamaguchi, Tomoka; Kojima, Masaaki; Vendier, Laure
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5555 - 5561
a	47.138 ± 0.006 Å
b	24.506 ± 0.003 Å
c	17.806 ± 0.003 Å
α	90°
β	110.961 ± 0.015°
γ	90°
Cell volume	19208 ± 5 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
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	0.1775
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	0.784
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
210069 (current)	2018-08-23	cif/4/ Updating bibliography in entries 4302314-4302315, 4338579-4338580. Marking entries 4302314-4302315 as duplicates of entries 4338580, 4338579.	4338580.cif
179488	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85.	4338580.cif
114758	2014-05-29	cif/ Adding structures of 4338579, 4338580 via cif-deposit CGI script.	4338580.cif