Crystallography Open Database

Information card for entry 4324167

Preview

Structure parameters

Formula	C16 H36 B2 Cl4 P2
Calculated formula	C16 H36 B2 Cl4 P2
SMILES	C(C)(C)([P]1([B]([P]([B]1(Cl)Cl)(C(C)(C)C)C(C)(C)C)(Cl)Cl)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	8.8289 ± 0.0003 Å
b	14.3784 ± 0.0005 Å
c	9.0538 ± 0.0003 Å
α	90°
β	92.991 ± 0.001°
γ	90°
Cell volume	1147.77 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4324167.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.	4324167.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324167.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324167.cif
24458	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324167 via cif-deposit CGI script.	4324167.cif