Crystallography Open Database

Information card for entry 4341816

Preview

Coordinates	4341816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.26 H54.17 O0.81 P6
Calculated formula	C61.268 H54.17 O0.817 P6
Title of publication	Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.
Authors of publication	Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141201074418004
a	12.6149 ± 0.0011 Å
b	13.2909 ± 0.0012 Å
c	17.621 ± 0.0016 Å
α	86.029 ± 0.001°
β	74.735 ± 0.001°
γ	83.91 ± 0.001°
Cell volume	2831.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1481
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2217
Weighted residual factors for all reflections included in the refinement	0.2427
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341816.cif
128227	2014-12-06	cif/ Adding structures of 4341816 via cif-deposit CGI script.	4341816.cif