Crystallography Open Database

Information card for entry 4108748

Preview

Coordinates	4108748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H59 B10 P Ru
Calculated formula	C31.5 H55 B10 P Ru
Title of publication	Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes
Authors of publication	Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	16103 - 16110
a	9.9134 ± 0.0006 Å
b	12.5819 ± 0.0007 Å
c	15.4598 ± 0.0009 Å
α	97.573 ± 0.001°
β	98.187 ± 0.001°
γ	110.544 ± 0.001°
Cell volume	1752.55 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4108748.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108748.cif
57116	2012-05-16	cif/ Adding structures of 4108748 via cif-deposit CGI script.	4108748.cif