Crystallography Open Database

Information card for entry 4333539

Preview

Coordinates	4333539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 Bi2 Na11 O103 Re2 W20
Calculated formula	C6 Bi2 Na11 O103 Re2 W20
SMILES	O1[W]234(=O)O[W]567(=O)[O]84[Bi]4[O]9%10[W]%11%12(O5)(=O)O[W]5%13(O3)(=O)O[W]3%14%15(=O)O[W]%169(O%11)(=O)=[O][Re]([O]=3)(C#[O])(C#[O])(C#[O])[O]=[W]39%11%17O[W]%18%19%20(=O)O[W]%21%22(=O)(O[W]%23%24%25(O[W]%26%27(O%22)(=O)O[W]%22%28(O%19)(O[W]%19%29%30(O[W]%31(O%26)([O]%23%27[Bi]([O]3%20%21)[O]%28%30[W](O%18)(O%22)(O%29)(O[W](O9)(O[W]%10(O6)(O%12)(=O)O%16)(=O)(=O)O[W]18(O[W](O[W](O2)(O5)(O%14)(=O)[O]4%13%15)(=O)(O%24)(=O)O%17)(=[O][Re](C#[O])(C#[O])(C#[O])([O]=%31)[O]=%19)O7)=O)(O%25)=O)=O)=O)=O)O%11.[Na+].O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].[Na+].O
Title of publication	Synthesis, Structures, and Photochemistry of Tricarbonyl Metal Polyoxoanion Complexes, [X2W20O70{M(CO)3}2]12- (X = Sb, Bi and M = Re, Mn)
Authors of publication	Chongchao Zhao; Choon Sung Kambara; Ye Yang; Alexey L. Kaledin; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	671 - 678
a	13.672 ± 0.003 Å
b	14.815 ± 0.003 Å
c	15.385 ± 0.003 Å
α	103.492 ± 0.003°
β	106.042 ± 0.003°
γ	104.397 ± 0.003°
Cell volume	2743.9 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179438 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35.	4333539.cif
99334	2014-01-31	cif/ Adding structures of 4333539 via cif-deposit CGI script.	4333539.cif