Crystallography Open Database

Information card for entry 4133526

Preview

Coordinates	4133526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 P
Calculated formula	C14 H11 P
Title of publication	Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.
Authors of publication	Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	1
Pages of publication	431 - 440
a	9.5932 ± 0.001 Å
b	16.8116 ± 0.0017 Å
c	6.1756 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	995.98 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	42
Hermann-Mauguin space group symbol	F m m 2
Hall space group symbol	F 2 -2
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.226
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
243291 (current)	2019-11-26	cif/ Adding structures of 4133526 via cif-deposit CGI script.	4133526.cif