Crystallography Open Database

Information card for entry 4324162

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Structure parameters

Formula	C20 H18 B F10 P
Calculated formula	C20 H18 B F10 P
SMILES	P(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C(C)(C)C)C(C)(C)C
Title of publication	Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2
Authors of publication	Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	336 - 344
a	12.194 ± 0.009 Å
b	18.331 ± 0.013 Å
c	19.774 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	4420 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0821
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	4324162.cif
179344	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/41.	4324162.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324162.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324162.cif
24453	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324162 via cif-deposit CGI script.	4324162.cif