Crystallography Open Database

Information card for entry 4332290

Preview

Coordinates	4332290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 B P3
Calculated formula	C50 H44 B P3
SMILES	C1CP(c2ccccc2)(c2ccccc2)=P[P+]1(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds
Authors of publication	Ellis, Bobby D.; Macdonald, Charles L. B.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	17
Pages of publication	6864 - 6874
a	12.0031 ± 0.0008 Å
b	17.5742 ± 0.0012 Å
c	19.6302 ± 0.0013 Å
α	90°
β	100.893 ± 0.001°
γ	90°
Cell volume	4066.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0578
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179425 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332290.cif
98212	2014-01-29	cif/ Adding structures of 4332288, 4332289, 4332290, 4332291, 4332292, 4332293, 4332294, 4332295, 4332296 via cif-deposit CGI script.	4332290.cif