Crystallography Open Database

Information card for entry 1535038

Preview

Coordinates	1535038.cif
External links	PubChem

Structure parameters

Chemical name	(La (H2 O)9) ((C F3) S O3)3
Formula	C3 H18 F9 La O18 S3
Calculated formula	C3 H18 F9 La O18 S3
SMILES	C(F)(F)(S(=O)(=O)[O-])F.[OH2][La]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(F)(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
Title of publication	Structure and stereochemistry in 'f-block' complexes of high coordination number. VIII The (M(unidentate)9) system. Crystal structures of (M (O H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
Authors of publication	Harrowfield, J.M.B.; Patrick, J.M.; Kepert, D.L.; White, A.H.
Journal of publication	Australian Journal of Chemistry
Year of publication	1983
Journal volume	36
Pages of publication	483 - 492
a	13.99 Å
b	13.99 Å
c	7.444 Å
α	90°
β	90°
γ	120°
Cell volume	1261.75 Å³
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301778 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure.	1535038.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1535038.cif
162165	2015-10-09	cif/ Adding structures of 1535038 via cif-deposit CGI script.	1535038.cif