Crystallography Open Database

Information card for entry 4309804

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Coordinates	4309804.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cluster oxo hydroxo hexanuclear of yttrium nitrate hydrate
Chemical name	mu6-oxo octa-mu3-hydroxo hexa-nitrato dodeca-aquo hexa-yttrium dinitrato dihydrate
Formula	N4 O23.5 Y3
Calculated formula	N4 O23.5 Y3
Title of publication	Polynuclear Lanthanide Hydroxo Complexes: New Chemical Precursors for Coordination Polymers
Authors of publication	Mahé, N.; Guillou, O.; Daiguebonne, C.; Gérault, Y.; Caneschi, A.; Sangregorio, C.; Chane-Ching, J. Y.; Car, P. E.; Roisnel, T.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	22
Pages of publication	7743 - 7750
a	12.5809 ± 0.0002 Å
b	10.18 ± 0.0002 Å
c	15.6655 ± 0.0003 Å
α	90°
β	97.629 ± 0.0007°
γ	90°
Cell volume	1988.58 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
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
288183 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name.	4309804.cif
210298	2018-09-01	cif/4/ Updating bibliography in entries 4309802-4309806, 4343876-4343877. Marking entries 4309805-4309806 as duplicates of entries 4343876-4343877.	4309804.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309804.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4309804.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4309804.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309804.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309804.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.	4309804.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309804.cif