Crystallography Open Database

Information card for entry 2017680

2017679 << 2017680 >> 2017681

Preview

Coordinates	2017680.cif
Structure factors	2017680.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrapotassium [μ~2~-<i>N</i>-carboxylato-D-penicillaminato(3-)- 5:6κ^2^<i>S</i>:<i>S</i>][μ~2~-D-penicillaminato(1-)- 2,3κ^2^<i>S</i>:<i>S</i>]tetrakis[μ~2~-D-penicillaminato(2-)]- 1:2κ^3^<i>N</i>,<i>S</i>:<i>S</i>; 1:6κ^3^<i>N</i>,<i>S</i>:<i>S</i>; 3:4κ^3^<i>S</i>:<i>N</i>,<i>S</i>; 4:5κ^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate
Formula	C33 H79 Au4 K4 N6 Ni2 O25 S6
Calculated formula	C33 H79 Au4 K4 N6 Ni2 O25 S6
Title of publication	Tetrapotassium [μ~2~-<i>N</i>-carboxylato-<small>D</small>-penicillaminato(3‒)-5:6κ^2^<i>S</i>:<i>S</i>][μ~2~-<small>D</small>-penicillaminato(1‒)-2:3κ^2^<i>S</i>:<i>S</i>]tetrakis[μ~2~-<small>D</small>-penicillaminato(2‒)]-1:2κ^3^<i>N</i>,<i>S</i>:<i>S</i>;1:6κ^3^<i>N</i>,<i>S</i>:<i>S</i>;3:4κ^3^<i>S</i>:<i>N</i>,<i>S</i>;4:5κ^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate
Authors of publication	Hashimoto, Yuji; Taguchi, Mai; Yoshinari, Nobuto; Konno, Takumi
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	6
Pages of publication	m160 - m162
a	9.9638 ± 0.0018 Å
b	22.644 ± 0.004 Å
c	14.723 ± 0.003 Å
α	90°
β	97.998 ± 0.007°
γ	90°
Cell volume	3289.5 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180845 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/76.	2017680.cif 2017680.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2017680.cif 2017680.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017680.cif 2017680.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2017680.cif 2017680.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017680.cif 2017680.hkl
1452	2010-10-08	hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt.	2017680.cif 2017680.hkl
1284	2010-08-08	cif/2/ Adding the processed IUCr 2010 June and July CIFs.	2017680.cif