Crystallography Open Database

Information card for entry 4073187

Preview

Coordinates	4073187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H203 B8 Li16 O16 P8 Si8
Calculated formula	C72 H203 B8 Li16 O16 P8 Si8
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	19.7951 ± 0.0006 Å
b	19.7951 ± 0.0006 Å
c	31.9497 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	12519.4 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	106
Hermann-Mauguin space group symbol	P 42 b c
Hall space group symbol	P 4c -2ab
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.6712 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	4073187.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073187.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073187.cif
46208	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073186, 4073187 via cif-deposit CGI script.	4073187.cif