Crystallography Open Database

Information card for entry 7208792

7208791 << 7208792 >> 7208793

Preview

Coordinates	7208792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H162.2 Ag7 N32 Na2 O147.6 P4 W36
Calculated formula	C112 H112 Ag7 N32 Na2 O126 P4 W36
SMILES	[Na+].[W]1234(O[W]567(=O)O[W]89([O]([W]%10%11%12(O[W]%13%14(O[W]%15%16(O[W]%17%18%19(O[W]%20%21%22(O[W]%23%24%25(O[W]%26%27(O[W]%28%29([O]%30[W]%31(O[W]%32%33(O[W]%34(O[W](O[W]([O]%17=P%30([O]%21%24%26)[O]%17[W](=O)(O[W]%17(O%20)(=O)(O%13)O%19)(O%28)(O%27)O6)(O%23)(O%18)(O%31)=O)(=O)(O%15)(O%33)[O]%16=P([O]9%12%34)([O]3%32)[O]7%14)(O8)(O%10)=O)(O2)=O)(O%29)(O%25)=O)(O1)=O)(O%22)=[O][Ag]([OH2])[n]1cn(cc1)Cc1ccccc1Cn1cc[n]([Ag][n]2ccn(c2)Cc2ccccc2Cn2cc[n]([Ag][n]3cn(Cc6ccccc6Cn6cc[n]([Ag][n]7ccn(Cc8ccccc8Cn8c[n]([Ag]([OH2])[O]=[W]9%10%12%13O[W]%14%15%16(O[W]%17%18(O[W]%19%20%21(O[W]%22%23%24(O[W]%25%26%27(O[W]%28%29([O]([W]%30%31%32(O[W]%33%34(O[W]%35%36%37(O[W]%38%39([O]%40[W]%41(O9)(O[W]9(O[W]%42(=O)(O%30)(O%25)O[W]%25(=O)(O[W](O%17)([O]%25=P%40([O]%19[W](O[W](O%33)(=O)(O%23)(O%37)[O]%24=P([O]%29%31%34)([O]%369)[O]%27%42)(O%14)(O%20)(O%38)=O)[O]%10%15%18)(=O)(O%26)O%21)(O%41)O%13)(O%35)(O%32)=O)(O%39)=O)(O%16)=O)=O)(O%28)=O)=O)[Ag]([n]9ccn(Cc%10ccccc%10Cn%10ccnc%10)c9)[n]9cn(Cc%10ccccc%10Cn%10cncc%10)cc9)(=O)O%22)=O)=O)=O)(O%12)=O)=O)cc8)c7)c6)cc3)c2)c1)=O)=O)=O)(O%11)=O)(O5)=O)=O)[Ag]([n]1ccn(Cc2ccccc2Cn2ccnc2)c1)[n]1cn(Cc2ccccc2Cn2cncc2)cc1)(O4)=O)=O.[Na+]
Title of publication	A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands
Authors of publication	Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6452
a	15.087 ± 0.0008 Å
b	15.343 ± 0.0008 Å
c	26.042 ± 0.0014 Å
α	95.941 ± 0.001°
β	100.639 ± 0.001°
γ	115.479 ± 0.001°
Cell volume	5233.5 ± 0.5 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7208792.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208792.cif
71478	2013-01-20	cif/ Adding structures of 7208790, 7208791, 7208792, 7208793, 7208794 via cif-deposit CGI script.	7208792.cif