Crystallography Open Database

Information card for entry 4510564

Preview

Coordinates	4510564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H86 Ge2 Mn2 N30 O80 Sn2 W18
Calculated formula	C16 H68 Ge2 Mn2 N30 O80 Sn2 W18
SMILES	C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.[O]1=[W]234(=O)[O]5[W]67(O[W]89%10(O[W]%11%12(O[W](O[W]%13%14(O[W]%15%16(O2)(=[O][Sn]2%17%18(CCC(=O)[O-])[O]%19%20[Ge]%215[O]9[W](O[W](O%13)(=O)([O]%14%15%21)(=[O]%17)O%16)(=[O][Mn]59%13%20[O]%14%15[Mn]%16%171%19[O]7[Sn]1%15(CCC(=O)[O-])([O]=[W]7%15%19(O[W]%20%21(=[O]5)(=O)[O]5[W]%22(O[W]%23%24(O[W]%25%26(O[W]%27(O[W](=O)(O%25)(O%22)O%21)(O[W]%21(O[W](=[O]%16)(O%23)([O]%24[Ge]%145[O]7%27%21)(O%26)=O)(=O)(=[O]1)O%19)(=O)O%15)=O)([O]2%17)=O)([O]%18%13)(O%20)=O)=O)[O]%109)(O8)(O%12)=O)=O)(O%11)=O)(=O)(O6)O4)=O)=O)(O3)=O.O.O.O.O.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.O.O
Title of publication	A Novel Carboxyethyltin Functionalized Sandwich-type Germanotungstate: Synthesis, Crystal Structure, Photosensitivity, and Application in Dye-Sensitized Solar Cells.
Authors of publication	Sang, Xiaojing; Li, Jiansheng; Zhang, Lancui; Wang, Zanjiao; Chen, Weilin; Zhu, Zaiming; Su, Zhongmin; Wang, Enbo
Journal of publication	ACS applied materials & interfaces
Year of publication	2014
Journal volume	6
Journal issue	10
Pages of publication	7876 - 7884
a	12.208 ± 0.003 Å
b	17.737 ± 0.004 Å
c	24.861 ± 0.005 Å
α	90°
β	115.658 ± 0.009°
γ	90°
Cell volume	4852.4 ± 1.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
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	0.1199
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510564.cif
115625	2014-06-05	cif/ Updating files of 4510564 Original log message: Adding full bibliography for 4510564.cif.	4510564.cif
112623	2014-05-03	cif/ Adding structures of 4510564 via cif-deposit CGI script.	4510564.cif