Crystallography Open Database

Information card for entry 3000612

Preview

No preview available: structure is on hold until 2026-02-15

Coordinates	Coordinates are not available: structure is on hold until 2026-02-15

Structure parameters

Formula	C20 H14 Cd S2
Authors of publication	Ryohei Akiyoshi
Journal of publication	To be published in Inorganic Chemistry
a	3.9578 ± 0.0001 Å
b	12.2608 ± 0.0004 Å
c	16.8679 ± 0.0004 Å
α	104.124 ± 0.002°
β	92.744 ± 0.002°
γ	92.489 ± 0.002°
Cell volume	791.59 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.