Crystallography Open Database

Information card for entry 4073186

Preview

Coordinates	4073186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H19 B Na O P
Calculated formula	C7 H19 B Na O P
SMILES	[Na]1([O]2CCCC2)[CH2]([P]([BH3])(C)C)[Na]([O]2CCCC2)[CH2]1[P]([BH3])(C)C
Title of publication	Metalation of Trimethylphosphine−Borane. Unexpected Reactivity of a Simple Phosphine−Borane-Stabilized Carbanion toward Siloxanes
Authors of publication	Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	11
Pages of publication	2861
a	12.534 ± 0.002 Å
b	14.6996 ± 0.0012 Å
c	13.079 ± 0.003 Å
α	90°
β	102.279 ± 0.008°
γ	90°
Cell volume	2354.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
178620 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/31.	4073186.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073186.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073186.cif
46208	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073186, 4073187 via cif-deposit CGI script.	4073186.cif