Crystallography Open Database

Information card for entry 4107269

Preview

Coordinates	4107269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H86 B3 F12 N6 O P
Calculated formula	C45 H86 B3 F12 N6 O P
Title of publication	Synthesis, Structure, and Reactivity of Carbene-Stabilized Phosphorus(III)-Centered Trications [L3P]3+
Authors of publication	Jekaterina Petuškova; Mahendra Patil; Sigrid Holle; Christian W. Lehmann; Walter Thiel; Manuel Alcarazo
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20758 - 20760
a	13.241 ± 0.0006 Å
b	20.3202 ± 0.0009 Å
c	21.5275 ± 0.001 Å
α	90°
β	101.408 ± 0.002°
γ	90°
Cell volume	5677.8 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Cu-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4107269.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107269.cif
54921	2012-04-30	cif/ Adding structures of 4107269 via cif-deposit CGI script.	4107269.cif