Crystallography Open Database

Information card for entry 7710222

Preview

Coordinates	7710222.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6
Formula	C29 H20 Au Cl N P Si
Calculated formula	C29 H20 Au Cl N P Si
SMILES	[Au](Cl)[P]12c3ccccc3[Si](c3c1cccc3)(c1c2cccc1)c1ccc(cc1)c1ccncc1
Title of publication	Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry
Authors of publication	Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.0209 ± 0.0003 Å
b	11.1466 ± 0.0004 Å
c	11.3056 ± 0.0003 Å
α	90.483 ± 0.003°
β	101.156 ± 0.003°
γ	104.033 ± 0.003°
Cell volume	1199.95 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275309 (current)	2022-05-11	cif/ Adding structures of 7710215, 7710216, 7710217, 7710218, 7710219, 7710220, 7710221, 7710222, 7710223, 7710224, 7710225, 7710226, 7710227, 7710228 via cif-deposit CGI script.	7710222.cif