Crystallography Open Database

Information card for entry 4315045

Preview

Structure parameters

Formula	C22 H14 N2 S
Calculated formula	C22 H14 N2 S
SMILES	s1cc(c(c1)c1cccc2cccnc12)c1cccc2cccnc12
Title of publication	Platinum Complexes of η2-Thiophenes
Authors of publication	Runyu Tan; Datong Song
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2026 - 2028
a	7.2714 ± 0.0003 Å
b	9.3598 ± 0.0003 Å
c	12.7502 ± 0.0004 Å
α	68.982 ± 0.001°
β	89.388 ± 0.001°
γ	80.449 ± 0.001°
Cell volume	797.68 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0356
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4315045.html