Crystallography Open Database

Information card for entry 1562496

Preview

Coordinates	1562496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Mo12 N7 O44 P
Calculated formula	C26 H31 Mo12 N7 O44 P
SMILES	[Mo]1234([O]56[Mo]78(O4)(O[Mo]49%10([O]%11%12[Mo]%13%14(O[Mo]%15%16%17([O]%18%19[Mo](O1)(O[Mo]%11(O3)(O%14)(O9)=O)(O[Mo]1%18(O[Mo]5(O2)(O8)(O[Mo]23([O]5([Mo](O%10)(=O)(O[Mo]5(O%13)(O%17)(=O)O3)(O2)O7)=P6%12%19)(O1)=O)=O)(=O)O%16)(O%15)=O)=O)(O4)=O)=O)=O)=O.[nH]1c2ccccc2[nH+]c1c1cnccc1.[nH]1c2ccccc2[nH+]c1c1cnccc1.O.O.O.O.N#CC
Title of publication	Two proton-conductive hybrids based on 2-(3-pyridyl)benzimidazole molecules and Keggin-type heteropolyacids
Authors of publication	Wei, Mei-Lin; Wang, Yu-Xia; Wang, Xin-Jun
Journal of publication	Journal of Solid State Chemistry
Year of publication	2014
Journal volume	209
Pages of publication	29 - 36
a	17.25 ± 0.003 Å
b	12.766 ± 0.002 Å
c	25.95 ± 0.005 Å
α	90°
β	100.68 ± 0.006°
γ	90°
Cell volume	5615.6 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
265098 (current)	2021-05-11	cif/ Adding structures of 1562495, 1562496 via cif-deposit CGI script.	1562496.cif