Crystallography Open Database

Information card for entry 4304553

Preview

Coordinates	4304553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H60 La4 N9 Na Ni5 O58
Calculated formula	C22 H25 La3.86887 N9 Na Ni5 O48
Title of publication	Dual Shell-like Magnetic Clusters Containing NiII and LnIII (Ln = La, Pr, and Nd) Ions
Authors of publication	Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Gary Nichol; Rong-Bin Huang; Lan-Sun Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	2728 - 2739
a	33.8871 ± 0.0013 Å
b	33.8871 ± 0.0013 Å
c	33.8871 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	38914 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
179083 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/45.	4304553.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304553.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304553.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304553.cif