Crystallography Open Database

Information card for entry 7115633

Preview

Coordinates	7115633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C288 H240 Ag6 F84 N72 P14 Ru4
Calculated formula	C288 H240 Ag6 F84 N72 P14 Ru4
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Ag]123[n]4c(cccc4)c4ccn(Cc5ccc(Cn6ccc7c8cccc[n]8[Ru]89%10([n]%11c(cccc%11)c%11ccn(Cc%12ccc(cc%12)Cn%12ccc%13c%14cccc[n]%14[Ag]%14([n]%15c(cccc%15)c%15ccn(Cc%16ccc(Cn%17ccc%18c%19cccc[n]%19[Ru]%19%20%21([n]%22c(cccc%22)c%22ccn(Cc%23ccc(cc%23)Cn%23ccc%24c%25cccc[n]%25[Ag]%25([n]%26c(cccc%26)c%26ccn(Cc%27ccc(Cn%28ccc%29c%30cccc[n]%30[Ru]%30%31([n]%32c(cccc%32)c%32ccn(Cc%33ccc(Cn%34ccc%35c%36cccc[n]%36[Ag]%36([n]%37c(cccc%37)c%37ccn(Cc%38ccc(Cn%39ccc%40c%41[n]([Ru]%42%43([n]%44c(cccc%44)c%44ccn(Cc%45ccc(cc%45)Cn%45ccc%46c%47cccc[n]%47[Ag]%47([n]%48c(c%49cccc[n]%47%49)ccn%48Cc%47ccc(Cn%48[n]9c(c9cccc[n]%109)cc%48)cc%47)[n]%45%46)[n]%42%44)([n]9c(cccc9)c9ccn(Cc%10ccc(cc%10)Cn%10ccc%42c%44cccc[n]%44[Ag]%44([n]%45c(cccc%45)c%45ccn(Cc%46ccc(Cn%47ccc(c%48cccc[n]%19%48)[n]%21%47)cc%46)[n]%44%45)[n]%10%42)[n]%439)[n]%39%40)cccc%41)cc%38)[n]%36%37)[n]%34%35)cc%33)[n]%31%32)([n]9c(cccc9)c9ccn(Cc%10ccc(cc%10)Cn%10ccc(c%19cccc[n]2%19)[n]3%10)[n]%309)[n]%28%29)cc%27)[n]%25%26)[n]%23%24)[n]%20%22)[n]%17%18)cc%16)[n]%14%15)[n]%12%13)[n]8%11)[n]67)cc5)[n]14.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Stepwise assembly of an adamantoid Ru4Ag6 cage by control of metal coordination geometry at specific sites
Authors of publication	Alexander J. Metherell; Michael D. Ward
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	10979
a	24.688 ± 0.003 Å
b	30.324 ± 0.004 Å
c	25.247 ± 0.003 Å
α	90°
β	102.819 ± 0.002°
γ	90°
Cell volume	18430 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1658
Residual factor for significantly intense reflections	0.1405
Weighted residual factors for significantly intense reflections	0.4104
Weighted residual factors for all reflections included in the refinement	0.4293
Goodness-of-fit parameter for all reflections included in the refinement	1.618
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180270 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/56.	7115633.cif
125736	2014-10-23	cif/ Adding structures of 7115632, 7115633 via cif-deposit CGI script.	7115633.cif