Crystallography Open Database

Information card for entry 1508452

Preview

Coordinates	1508452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H152 N4 O32 W10
Calculated formula	C84 H152 N4 O32 W10
SMILES	[W]1234(=O)O[W]567(O[W]89(O3)(O[W]3%10(O2)([O]458[W](O1)(O6)(=O)(O3)O[W]123(O[W]456(=O)O[W]8(=O)(O[W]%11(O4)(=O)(O[W](O5)(=O)(O1)([O]368%11)O7)O9)(O2)O%10)=O)=O)=O)=O.[n+]1(ccccc1)CCCCCCCCCCCCCCCC.[n+]1(ccccc1)CCCCCCCCCCCCCCCC.[n+]1(ccccc1)CCCCCCCCCCCCCCCC.[n+]1(ccccc1)CCCCCCCCCCCCCCCC
Title of publication	Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid
Authors of publication	Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	2
Pages of publication	362 - 373
a	10.7727 ± 0.0012 Å
b	11.3734 ± 0.0012 Å
c	23.982 ± 0.003 Å
α	98.566 ± 0.004°
β	95.298 ± 0.004°
γ	116.168 ± 0.004°
Cell volume	2566.1 ± 0.5 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508452.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508452.cif
69280	2012-12-06	cif/ Adding structures of 1508452 via cif-deposit CGI script.	1508452.cif