Crystallography Open Database

Information card for entry 1534984

Preview

Coordinates	1534984.cif

Structure parameters

Chemical name	(N H4)15 Na ((Mo2 O4)3 (O)3 (S O3)4)2 (H2 O)5
Formula	H70 Mo12 N15 Na O59 S8
Calculated formula	Mo12 N15 Na O59 S8
SMILES	[NH4+].[NH4+].[NH4+].[NH4+].O=[Mo]1234O[Mo]56(=O)(O3)[O]3S7=[O]4[Mo]4(O2)(=O)(O[Mo]28(=O)(O4)[O]7[Mo]4(=O)(O[Mo]3(=O)(O4)(OS(=O)O5)O6)(OS(=O)O2)O8)OS(=O)O1.[Na+].O.O.O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O=[Mo]1234O[Mo]56(=O)(O1)[O]1=S7[O]2[Mo]2(=O)(O[Mo]89(=O)(O2)[O]7[Mo]2(=O)(O[Mo]1(=O)(O2)(OS(=O)O5)O6)(OS(=O)O8)O9)(OS(=O)O3)O4.O.O
Title of publication	Polyoxomolybdenum(V) sulfite complexes: synthesis, structural and physical studies
Authors of publication	Manos, M.J.; Woollins, J.D.; Slawin, A.M.Z.; Kabanos, T.A.
Journal of publication	Angew. Chem. Int. ed.
Year of publication	2002
Journal volume	41
Pages of publication	2801 - 2805
a	18.2657 Å
b	14.5326 Å
c	14.6891 Å
α	90°
β	117.6°
γ	90°
Cell volume	3455.48 Å³
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	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.	1534984.cif
162081	2015-10-09	cif/ Adding structures of 1534984 via cif-deposit CGI script.	1534984.cif