Crystallography Open Database

Information card for entry 4333706

Preview

Coordinates	4333706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H43 B Li O2 P Si2
Calculated formula	C21 H43 B Li O2 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	6.2819 ± 0.0004 Å
b	10.6424 ± 0.0007 Å
c	19.6382 ± 0.0014 Å
α	96.9636 ± 0.0007°
β	93.8785 ± 0.0008°
γ	101.664 ± 0.0008°
Cell volume	1270.56 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.055
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.6941 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	4333706.cif
99510	2014-01-31	cif/ Adding structures of 4333706 via cif-deposit CGI script.	4333706.cif