Crystallography Open Database

Information card for entry 7021431

Preview

Coordinates	7021431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H70 Cl6 Fe2 N8 S6 Sn4
Calculated formula	C51 H70 Cl6 Fe2 N8 S6 Sn4
Title of publication	Modification of Sn/S cages with bis-functionalized ferrocenyl units.
Authors of publication	You, Zhiliang; Fenske, Dieter; Dehnen, Stefanie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	23
Pages of publication	8179 - 8182
a	12.6054 ± 0.0001 Å
b	25.6456 ± 0.0002 Å
c	41.9115 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	13548.9 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179919 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14.	7021431.cif
86938	2013-07-12	cif/ Adding structures of 7021431, 7021432 via cif-deposit CGI script.	7021431.cif