Crystallography Open Database

Information card for entry 7018191

Preview

Coordinates	7018191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H147 Cu19 Li O5 P3 S28 Sn12
Calculated formula	C122 H147 Cu19 Li O5 P3 S28 Sn12
Title of publication	A ternary Cu-Sn-S cluster complex-(NBu(4))[Cu(19)S(28)(SnPh)(12)(PEt(2)Ph)(3)].
Authors of publication	Eichhöfer, Andreas; Jiang, Jijun; Lebedkin, Sergei; Fenske, Dieter; McDonald, Daniel G.; Corrigan, John F.; Su, Cheng-Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	11
Pages of publication	3321 - 3327
a	17.333 ± 0.004 Å
b	29.58 ± 0.006 Å
c	34.687 ± 0.007 Å
α	90°
β	93.33 ± 0.03°
γ	90°
Cell volume	17754 ± 7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179885 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81.	7018191.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018191.cif
37680	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018190, 7018191 via cif-deposit CGI script.	7018191.cif