Crystallography Open Database

Information card for entry 7018190

Preview

Coordinates	7018190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H181 Cu19 N O5 P3 S28 Sn12
Calculated formula	C138 H181 Cu19 N 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	17.34 ± 0.004 Å
b	19.132 ± 0.004 Å
c	31.698 ± 0.006 Å
α	101.78 ± 0.03°
β	92.9 ± 0.03°
γ	114.66 ± 0.03°
Cell volume	9246 ± 4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.047
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	7018190.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018190.cif
37680	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018190, 7018191 via cif-deposit CGI script.	7018190.cif