Crystallography Open Database

Information card for entry 4333705

Preview

Coordinates	4333705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H28 B P Si2
Calculated formula	C13 H28 B P Si2
Title of publication	Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study
Authors of publication	Keith Izod; James M. Watson; William Clegg; Ross W. Harrington
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1466 - 1475
a	6.608 ± 0.004 Å
b	8.627 ± 0.007 Å
c	16.504 ± 0.016 Å
α	97.67 ± 0.08°
β	93.65 ± 0.07°
γ	106.33 ± 0.07°
Cell volume	889.7 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1315
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.2229
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179440 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/37.	4333705.cif
99509	2014-01-31	cif/ Adding structures of 4333705 via cif-deposit CGI script.	4333705.cif