Crystallography Open Database

Information card for entry 7701476

Preview

Coordinates	7701476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 I P S2
Calculated formula	C6 H4 I P S2
Title of publication	Structure-property-reactivity studies on dithiaphospholes
Authors of publication	Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca
Journal of publication	Dalton Transactions
Year of publication	2019
a	9.0077 ± 0.0006 Å
b	9.3261 ± 0.0007 Å
c	11.6087 ± 0.0007 Å
α	69.446 ± 0.006°
β	77.324 ± 0.005°
γ	79.406 ± 0.006°
Cell volume	884.76 ± 0.11 Å³
Cell temperature	423 ± 2 K
Ambient diffraction temperature	423 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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/7701476.html