Crystallography Open Database

Information card for entry 7219297

7219296 << 7219297 >> 7219298

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Coordinates	7219297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H48 N30 O98 Si2 W24 Zn5
Calculated formula	C20 H38 N30 O98 Si2 W24 Zn5
SMILES	c1[n]2[n](c[nH]1)[Zn]13([n]4c[nH]c[n]4[Zn]2([n]2n1c[n](c2)[Zn]1([O]=[W]2456O[W]789(O[W]%10%11%12(=O)O[W]%13%14(=O)(O[W]%15%16(O%10)(O[W]%10%17%18(=O)O[W]%19(O%11)(=O)(O7)[O]8%12[Si]78[O]2%14[W]2(O%13)(O[W](O%15)(O%10)(=O)([O]%16%177)O[W]7%10([O]%118[W](O%19)(O%18)(=O)(O7)O[W]%11(O9)(O4)(O%10)=[O]3)(O2)=O)(=O)O6)=O)O5)=O)([n]2cn3[n](c2)[Zn]2([n]4c[nH]c[n]4[Zn]3([n]3c[nH]c[n]23)([n]2c[nH]cn2)([OH2])[O]=[W]2345[O]67[Si]89[O]%10%11[W]%12%13%14(=O)O[W]%15%16%17(=O)O[W]%18%19(O%12)(O[W]%12%20%21(=O)O[W]%22%10(O%14)(=O)O[W]%11(O%13)(O[W]%10([O]8%16[W]8(O%15)(O[W](O%18)(O%12)(=O)([O]9%19%20)O[W]6(O8)(O[W]7(O%22)(O%21)(=O)O4)(O5)=O)(=O)O%10)(=[O]3)(O%17)O1)(O2)=O)=O)([OH2])[OH2])([n]1cnc[nH]1)[n]1cnc[nH]1)([n]1c[nH]cn1)([OH2])[OH2])([OH2])O.O.O.O.O.O.O.O.O.O.O
Title of publication	Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties
Authors of publication	Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2176
a	13.088 ± 0.0005 Å
b	13.764 ± 0.0005 Å
c	15.963 ± 0.0005 Å
α	99.833 ± 0.005°
β	99.52 ± 0.005°
γ	101.798 ± 0.005°
Cell volume	2713.05 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180523 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219297.cif
133170	2015-03-06	cif/ Updating files of 7219296, 7219297, 7219298, 7219299, 7219300, 7219301 Original log message: Adding full bibliography for 7219296--7219301.cif.	7219297.cif
129665	2015-01-15	cif/ Adding structures of 7219296, 7219297, 7219298, 7219299, 7219300, 7219301 via cif-deposit CGI script.	7219297.cif