Crystallography Open Database

Information card for entry 7224055

Preview

Coordinates	7224055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H78 Ir2 K4 Nb6 O33
Calculated formula	C30 H54 Ir2 K4 Nb6 O33
SMILES	C[c]12[c]3([c]4([c]5(C)[c]1(C)[Ir]162345[O]2[Nb]345([O]1[Nb]178([O]6[Nb]692([O]2%1037[Nb]3([O]7[Ir]%11%12%13%14%15([c]%16(C)[c]%11([c]%12([c]%13(C)[c]%14%16C)C)C)[O]3[Nb]2(O4)([O]%15[Nb]%107(O1)(O5)=O)(O6)=O)(=O)(O8)O9)=O)=O)=O)C)C.[K+].[K+].OC.CO.CO.CO.CO.O.O.[K+].[K+].OC.CO.CO.CO.CO.O.O
Title of publication	Unique solubility of polyoxoniobate salts in methanol: coordination to cations and POM methylation
Authors of publication	Abramov, Pavel A.; Vicent, Cristian; Kompankov, Nikolay B.; Laricheva, Yuliya A.; Sokolov, Maksim Nailyevich
Journal of publication	RSC Adv.
Year of publication	2016
a	10.776 ± 0.0006 Å
b	11.8756 ± 0.0007 Å
c	14.1839 ± 0.0009 Å
α	113.102 ± 0.003°
β	92.519 ± 0.003°
γ	111.051 ± 0.002°
Cell volume	1521.58 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0463
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation probe	x-ray
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
175271 (current)	2016-01-29	cif/ Adding structures of 7224054, 7224055, 7224056 via cif-deposit CGI script.	7224055.cif