Crystallography Open Database

Information card for entry 7024026

Preview

Coordinates	7024026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H68 Mo12 N8 O52 Si
Calculated formula	C24 H44 Mo12 N8 O40 Si
SMILES	[Mo]1234(O[Mo]567(O[Mo]89%10([O]%11%12[Mo]%13%14(O[Mo]%15%16%17([O]%18%19[Mo]%20(O[Mo]%21%22%23([O]%24([Mo](=O)(O%13)(O%16)(O[Mo]%24(=O)(O%10)(O7)O%22)O%23)[Si]%12%19[O]15[Mo](O%21)(O2)(O6)(O%20)=O)=O)(O[Mo]%18(=O)(O%15)(O4)O[Mo]%11(=O)(O3)(O9)O%14)(=O)O%17)=O)(O8)=O)=O)=O)=O.n1(c[n+](cc1)C)CC.n1(c[n+](C)cc1)CC.n1(c[n+](cc1)CC)C.n1(c[n+](C)cc1)CC
Title of publication	Preparation of polyoxometalates in ionic liquids by ionothermal synthesis.
Authors of publication	Lin, Shiwei; Liu, Wenli; Li, Yangguang; Wu, Qiong; Wang, Enbo; Zhang, Zhiming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	7
Pages of publication	1740 - 1744
a	15.056 ± 0.003 Å
b	16.167 ± 0.003 Å
c	26.572 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6468 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
179945 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/40.	7024026.cif
92031	2014-01-12	cif/ Adding structures of 7024025, 7024026 via cif-deposit CGI script.	7024026.cif