Crystallography Open Database

Information card for entry 7127721

Preview

Coordinates	7127721.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3 in manuscript
Formula	C21 H13 Au N P S2
Calculated formula	C21 H13 Au N P S2
Title of publication	Gold(i) complexes based on six-membered phosphorus heterocycles as bio-active molecules against brain cancer.
Authors of publication	Roesch, Saskia; Fermi, Valentina; Rominger, Frank; Herold-Mende, Christel; Romero-Nieto, Carlos
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	93
Pages of publication	14593 - 14596
a	12.7527 ± 0.0003 Å
b	18.7996 ± 0.0004 Å
c	16.53 ± 0.0004 Å
α	90°
β	108.271 ± 0.0007°
γ	90°
Cell volume	3763.2 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0643
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260459 (current)	2021-01-04	cif/ Adding structures of 7127720, 7127721 via cif-deposit CGI script.	7127721.cif