Crystallography Open Database

Information card for entry 8100872

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Coordinates	Coordinates are not available: file is not found.

Structure parameters

Formula	C16 H54 Mo7 N4 Na2 O31
Calculated formula	C16 H54 Mo7 N4 Na2 O31
SMILES	[Mo]12345[O]67[Mo]8(O4)(O[Mo]46([O]2[Mo]2([O]61[Mo](O5)(O2)(O[Mo]16([O]3[Mo]7(O8)(O1)(=O)=O)(=O)=O)(=O)=O)(O4)(=O)=O)(=O)=O)(=O)=O.[Na+].[Na+].OCC[NH+](C)C.OCC[NH+](C)C.OCC[NH+](C)C.OCC[NH+](C)C.O.O.O
Title of publication	Crystal structure of catena-poly[(dimethyl(2-hydroxyethyl)ammonium)- {sodium-μ-[aquatris(dimethyl(2-hydroxyethyl)ammonium)-sodiumheptamolybdato (VI)-O',O'',O''':O'''',O''''',O'''''']}diwater], {(C~4~H~12~NO)[(C~4~H~12~NO) ~3~(H~2~O)Na~2~Mo~7~O~24~] · 2H~2~O}~n~
Authors of publication	Klinga, Martti; Turpeinen, Urho; Hämäläinen, Reijo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	1
Pages of publication	132 - 134
a	14.857 ± 0.003 Å
b	16.266 ± 0.003 Å
c	17.769 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4294.1 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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