Crystallography Open Database

Information card for entry 4309805

Preview

Coordinates	4309805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	N8 O50 Y6
Calculated formula	N8 O50 Y6
SMILES	[O]12345[Y]6789([O]%10[Y]%11%12%131([O]1[Y]%14%152%10([O]6[Y]26%103([O]3[Y]%1641([O]%13[Y]153([O]7%11)([O]92)(ON(=[O]1)=O)([OH2])[OH2])([O]6%14)(ON(=[O]%16)=O)([OH2])[OH2])(ON(=[O]%10)=O)([OH2])[OH2])([OH2])([OH2])ON(=O)=[O]%15)(ON(=[O]%12)=O)([OH2])[OH2])(ON(=[O]8)=O)([OH2])[OH2].N(=O)(=O)[O-].O.O.O.N(=O)(=O)[O-].O.O
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	12.7255 ± 0.0003 Å
b	18.9817 ± 0.0004 Å
c	17.5142 ± 0.0004 Å
α	90°
β	106.968 ± 0.0011°
γ	90°
Cell volume	4046.42 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
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	0.0809
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4309805.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.	4309805.cif
179136	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 4/30/98.	4309805.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309805.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309805.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).	4309805.cif