Crystallography Open Database

Information card for entry 4307123

Preview

Coordinates	4307123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 N2 Nd4 O31
Calculated formula	C8 H6 N2 Nd4 O31
Title of publication	{[Nd4(ox)4(NO3)2(OH)2(H2O)2].5H2O}n: A Porous 3D Lanthanide-Based Coordination Polymer with a Special Luminescent Property
Authors of publication	Li-Zhi Zhang; Wen Gu; Bing Li; Xin Liu; Dai-Zheng Liao
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	622 - 624
a	6.2672 ± 0.001 Å
b	8.6204 ± 0.0014 Å
c	12.936 ± 0.002 Å
α	105.314 ± 0.002°
β	90.439 ± 0.002°
γ	105.081 ± 0.002°
Cell volume	648.65 ± 0.18 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179109 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/71.	4307123.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4307123.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307123.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307123.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4307123.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307123.cif