Crystallography Open Database

Information card for entry 1543027

Preview

Coordinates	1543027.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SL_125
Formula	C185 H173 B2 F8 N14 O6 Pd2 S2
Calculated formula	C185.49 H174.025 B2 F8 N14 O6 Pd2 S2
Title of publication	Internal dynamics and guest binding of a sterically overcrowded host
Authors of publication	Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	7
Pages of publication	4676
a	15.19 ± 0.003 Å
b	18.168 ± 0.004 Å
c	18.77 ± 0.004 Å
α	64.9 ± 0.03°
β	79.12 ± 0.03°
γ	76.17 ± 0.03°
Cell volume	4532 ± 2 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	0.0947
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2269
Weighted residual factors for all reflections included in the refinement	0.2374
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.97896 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185109 (current)	2016-08-07	cif/ Updating files of 1543026, 1543027, 1543028, 1543029 Original log message: Adding full bibliography for 1543026--1543029.cif.	1543027.cif
181489	2016-04-05	cif/ Adding structures of 1543026, 1543027, 1543028, 1543029 via cif-deposit CGI script.	1543027.cif