Crystallography Open Database

Information card for entry 7215444

Preview

Coordinates	7215444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 P Se
Calculated formula	C18 H13 P Se
SMILES	[Se]=P1(c2ccccc2c2ccccc12)c1ccccc1
Title of publication	Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal
Authors of publication	Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	17
Pages of publication	5423
a	10.377 ± 0.002 Å
b	9.509 ± 0.002 Å
c	15.331 ± 0.003 Å
α	90°
β	92.624 ± 0.005°
γ	90°
Cell volume	1511.2 ± 0.5 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180485 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54.	7215444.cif
111951	2014-04-28	cif/ Adding structures of 7215444, 7215445 via cif-deposit CGI script.	7215444.cif