Crystallography Open Database

Information card for entry 1525839

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Coordinates	1525839.cif

Structure parameters

Chemical name	Na10 ((P W9 O34)2 Ni4 (H2 O)2) (H2 O)26
Formula	H56 Na10 Ni4 O96 P2 W18
Calculated formula	Na10 Ni4 O96 P2 W18
SMILES	O=[W]1234O[W]567(=O)O[W]89%10(=O)[O]%11P%12(=[O]25)[O]2[W]5%13%14(=O)O[W]%15%16(=O)O[W](O[W](=O)(O6)(O%15)O4)(=O)(O[W]%11(=O)(=[O][Ni]46%11[O]8[Ni]8%15%17([O]7[Ni]7%18([O]=1)[O]%12[Ni]1([OH2])([O]%18[W]%12%18%19(O[W]%20%21(O[W]%22%23(=O)(=[O]4)[O]%20=P4([O]%12[W]%12(=O)(=[O]7)(O[W]7%20(=O)(O[W]([O]47)(=O)(=[O]8)(O%22)O[W]4(=O)(O%20)O[W](O[W](=O)(O%21)(O4)O%23)(=O)(O%12)O%19)=[O]%17)O%18)[O]6%15)(=O)[O]%111)=O)([O]=[W]2(O3)(O%16)(O5)=O)O%14)[OH2])(O%13)O9)O%10.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Synthesis and crystal structure of 18-tungstotetranickel(II) diphosphate Na10 ((P W9 O34)2 Ni4 (H2 O)2) * 26(H2 O)
Authors of publication	Cui, C.-P.; Dai, J.-C.; Fu, Z.-Y.; Wu, L.-M.; Du, W.-X.; Hu, S.-M.; Wu, X.-T.
Journal of publication	Jiegon Huaxue
Year of publication	2001
Journal volume	20
Pages of publication	274 - 277
a	11.898 Å
b	16.629 Å
c	21.413 Å
α	90°
β	100.59°
γ	90°
Cell volume	4164.44 Å³
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1525839.cif
146902	2015-07-12	cif/ Adding structures of 1525839 via cif-deposit CGI script.	1525839.cif