Crystallography Open Database

Information card for entry 4109718

Preview

Coordinates	4109718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H57 B11 Na O8
Calculated formula	C25 H51 B11 Na O8
Title of publication	Synthesis and Crystal Structure of a 13-Vertex Carborane Radical Anion with 2n+ 3 Framework Electrons
Authors of publication	Xiaodu Fu; Hoi-Shan Chan; Zuowei Xie
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8964 - 8965
a	30.55 ± 0.02 Å
b	11.514 ± 0.008 Å
c	10.562 ± 0.007 Å
α	90°
β	97.58 ± 0.013°
γ	90°
Cell volume	3683 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2227
Weighted residual factors for all reflections included in the refinement	0.248
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178843 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97.	4109718.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109718.cif
58495	2012-05-28	cif/ Adding structures of 4109718 via cif-deposit CGI script.	4109718.cif