Crystallography Open Database

Information card for entry 7215445

Preview

Coordinates	7215445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 P2 S Se
Calculated formula	C36 H26 P2 S Se
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	10.32 ± 0.002 Å
b	9.3942 ± 0.0015 Å
c	15.135 ± 0.002 Å
α	90°
β	92.101 ± 0.004°
γ	90°
Cell volume	1466.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.024
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71074 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.	7215445.cif
111951	2014-04-28	cif/ Adding structures of 7215444, 7215445 via cif-deposit CGI script.	7215445.cif