Crystallography Open Database

Information card for entry 7710228

Preview

Coordinates	7710228.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	10a
Formula	C60 H42 Au2 Cl10 N2 P2 Si2 Zn
Calculated formula	C58 H40 Au2 Cl4 N2 P2 Si2 Zn
SMILES	[Au](Cl)[P]12c3ccccc3[Si](c3c1cccc3)(c1c2cccc1)c1ccc(cc1)c1cc[n]([Zn](Cl)(Cl)[n]2ccc(c3ccc([Si]45c6c([P]([Au]Cl)(c7ccccc47)c4ccccc54)cccc6)cc3)cc2)cc1
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	22.338 ± 0.005 Å
b	11.733 ± 0.003 Å
c	24.598 ± 0.006 Å
α	90°
β	105.717 ± 0.004°
γ	90°
Cell volume	6206 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7710228.cif