Crystallography Open Database

Information card for entry 2106739

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Structure parameters

Chemical name	Na6 Th (C O3)5 (H2 O)12
Formula	C5 H24 Na6 O27 Th
Calculated formula	C5 H24 Na6 O27 Th
SMILES	C1(=O)O[Th]2345(OC(=O)O3)(OC(=O)O2)(OC(=O)O4)(OC(=O)O5)O1.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.[Na+].O.O.O.O
Title of publication	Etude structurale des carbonates complexes de cerium et de thorium. III. Structure cristalline et moleculaire du pentacarbonatothorate de sodium dodecahydrate, Na6 Th (C O3)5 (H2 O)12
Authors of publication	Voliotis, S.; Rimsky, A.
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1975
Journal volume	31
Journal issue	11
Pages of publication	2615 - 2620
a	9.6 Å
b	9.92 Å
c	13.64 Å
α	90.47°
β	104.38°
γ	95.52°
Cell volume	1251.74 Å³
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301802 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure.	2106739.cif
189368	2016-12-23	cif/2/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 2000264, 2000739, 2106739, 2310660.	2106739.cif
189299	2016-12-21	cif/2/10/67/ (antanas@echidna.ibt.lt) Changing the z coordinate of atom 'C2' from '0.086' to '0.0086' in entry 2106739 after consulting the original publication.	2106739.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.	2106739.cif
156205	2015-09-12	cif/ Adding structures of 2106739 via cif-deposit CGI script.	2106739.cif