Crystallography Open Database

Information card for entry 4305380

Preview

Coordinates	4305380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H13 B10 I
Calculated formula	C3 H13 B10 I
Title of publication	Designed Synthesis of New ortho-Carborane Derivatives: from Mono- to Polysubstituted Frameworks
Authors of publication	Gemma Barberà; Albert Vaca; Francesc Teixidor; Reijo Sillanpää; Raikko Kivekäs; Clara Viñas
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	7309 - 7316
a	7.2615 ± 0.0002 Å
b	9.6534 ± 0.0003 Å
c	8.0861 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	566.82 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
179091 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/53.	4305380.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305380.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305380.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305380.cif