Crystallography Open Database

Information card for entry 7710227

Preview

Coordinates	7710227.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	13
Formula	C58 H40 Br6 Hg2 N2 P2 Si2 Zn
Calculated formula	C58 H40 Br6 Hg2 N2 P2 Si2 Zn
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	10.717 ± 0.004 Å
b	11.724 ± 0.004 Å
c	22.029 ± 0.007 Å
α	93.404 ± 0.006°
β	91.492 ± 0.006°
γ	95.551 ± 0.006°
Cell volume	2748.6 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1185
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
287939 (current)	2023-12-01	cif/ Corrected several different data names in multiple entries.	7710227.cif
275309	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.	7710227.cif