Crystallography Open Database

Information card for entry 4111079

Preview

Coordinates	4111079.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-((3,3-bis-methyl-1,3-selenasiletane) -dirhodium(ii)-tetratrifluoroacetate)
Formula	C12 H10 F12 O8 Rh2 Se Si
Calculated formula	C12 H10 F11.94 O8 Rh2 Se Si
Title of publication	Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications
Authors of publication	Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14949 - 14961
a	9.5735 ± 0.0007 Å
b	11.3637 ± 0.0008 Å
c	13.0078 ± 0.0009 Å
α	65.779 ± 0.001°
β	73.406 ± 0.001°
γ	80.72 ± 0.001°
Cell volume	1235.23 ± 0.15 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178881 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111079.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111079.cif
60603	2012-06-15	cif/ Adding structures of 4111079 via cif-deposit CGI script.	4111079.cif