Crystallography Open Database

Information card for entry 4123313

Preview

Coordinates	4123313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C354 H306 B8 F32 N24 O8 Pd4
Calculated formula	C354 H306 B8 F32 N24 O8 Pd4
Title of publication	Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.
Authors of publication	Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	3
Pages of publication	1060 - 1063
a	22.065 ± 0.004 Å
b	22.065 ± 0.004 Å
c	33.491 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	16306 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1559
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2267
Weighted residual factors for all reflections included in the refinement	0.3066
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123313.cif
130660	2015-02-04	cif/ Updating files of 4123312, 4123313 Original log message: Adding full bibliography for 4123312--4123313.cif.	4123313.cif
129888	2015-01-17	cif/ Adding structures of 4123313 via cif-deposit CGI script.	4123313.cif