Crystallography Open Database

Information card for entry 4127935

Preview

Coordinates	4127935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H111 B4 F40 N15 O Pd2 S8
Calculated formula	C150 H111 B4 F40 N15 O Pd2 S8
Title of publication	Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages.
Authors of publication	Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	5
Pages of publication	2097 - 2103
a	15.475 ± 0.003 Å
b	17.268 ± 0.003 Å
c	19.388 ± 0.004 Å
α	63.67 ± 0.03°
β	70.32 ± 0.03°
γ	86.65 ± 0.03°
Cell volume	4347 ± 2 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 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	0.1622
Residual factor for significantly intense reflections	0.1172
Weighted residual factors for significantly intense reflections	0.3222
Weighted residual factors for all reflections included in the refinement	0.358
Goodness-of-fit parameter for all reflections included in the refinement	1.272
Diffraction radiation wavelength	0.5636 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221093 (current)	2019-11-02	cif/ Adding structures of 4127935 via cif-deposit CGI script.	4127935.cif