Crystallography Open Database

Information card for entry 7710225

Preview

Coordinates	7710225.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9
Formula	C139.75 H104 Cl3 F6 N4 O6 P4 S2 Si4 Zn
Calculated formula	C136 H95 Cl3 F6 N4 O6 P4 S2 Si4 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	17.981 ± 0.018 Å
b	18.767 ± 0.016 Å
c	19.161 ± 0.016 Å
α	100.034 ± 0.003°
β	99.951 ± 0.004°
γ	103.892 ± 0.01°
Cell volume	6023 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1918
Weighted residual factors for all reflections included in the refinement	0.2021
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.56356 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7710225.cif