Crystallography Open Database

Information card for entry 4111032

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Structure parameters

Formula	C8 H24 Br N P2 Si
Calculated formula	C8 H24 Br N P2 Si
SMILES	[Br-].P([P+](C)(C)C)(=N[Si](C)(C)C)(C)C
Title of publication	Reactions of P-Donor Ligands with N-Silyl(halogeno)organophosphoranimines: Formation of Cations with P-P Coordination Bonds and Poly(alkyl/aryl)phosphazenes at Ambient Temperature
Authors of publication	Keith Huynh; Alan J. Lough; Ian Manners
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14002 - 14003
a	11.7432 ± 0.0002 Å
b	11.5531 ± 0.0004 Å
c	22.8714 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3102.97 ± 0.17 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4111032.cif
178881	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111032.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111032.cif
60555	2012-06-15	cif/ Adding structures of 4111032 via cif-deposit CGI script.	4111032.cif