Crystallography Open Database

Information card for entry 4321997

4321996 << 4321997 >> 4321998

Preview

Coordinates	4321997.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diphenyltrichlorophosphorane
Formula	C12 H10 Cl3 P
Calculated formula	C12 H10 Cl3 P
SMILES	P(Cl)(c1ccccc1)(c1ccccc1)(Cl)Cl
Title of publication	Ph2PCl3: Covalency in Solution and the Solid State
Authors of publication	Stephen A. Bell; Steven J. Geib; Tara Y. Meyer
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	2524 - 2526
a	14.565 ± 0.013 Å
b	10.903 ± 0.006 Å
c	7.941 ± 0.007 Å
α	90°
β	96.22 ± 0.07°
γ	90°
Cell volume	1253.6 ± 1.7 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.2105
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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
179322 (current)	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 4/32/19.	4321997.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321997.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321997.cif
19886	2011-05-30	../uploads/cif-deposit/cod/cif Adding structures of 4321997 via cif-deposit CGI script.	4321997.cif