Crystallography Open Database

Information card for entry 4333708

Preview

Coordinates	4333708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H50 B K N3 P Si2
Calculated formula	C22 H50 B K N3 P Si2
SMILES	[BH3]P(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1.[K]12[N](C)(C)CC[N]1(C)CC[N]2(C)C
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	9.8704 ± 0.0007 Å
b	13.1887 ± 0.001 Å
c	13.5125 ± 0.001 Å
α	105.817 ± 0.007°
β	107.826 ± 0.006°
γ	100.218 ± 0.007°
Cell volume	1544.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0661
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
265253 (current)	2021-05-16	cif/4 Fixing Z values and formulae	4333708.cif
179440	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.	4333708.cif
99512	2014-01-31	cif/ Adding structures of 4333708 via cif-deposit CGI script.	4333708.cif