Crystallography Open Database

Information card for entry 1572940

Preview

Coordinates	1572940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C182 H130 B Cl27 F4 N51.5 O20.25 Pd4
Calculated formula	C172 H116 B Cl18 F4 N48 O20 Pd4
Title of publication	Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.
Authors of publication	Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	45
Pages of publication	19119 - 19125
a	14.977 ± 0.003 Å
b	27.843 ± 0.006 Å
c	49.372 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	20588 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1612
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2667
Weighted residual factors for all reflections included in the refinement	0.3166
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296441 (current)	2024-12-06	cif/ Updating files of 1572937, 1572938, 1572939, 1572940, 1572941 Original log message: Adding full bibliography for 1572937--1572941.cif.	1572940.cif
295608	2024-10-25	cif/ Adding structures of 1572937, 1572938, 1572939, 1572940, 1572941 via cif-deposit CGI script.	1572940.cif