Crystallography Open Database

Information card for entry 4104665

Preview

Coordinates	4104665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H81 N24 O42.82 Pd3
Calculated formula	C68 H81 N24.668 O45.292 Pd3
Title of publication	Energy Transfer in a Mechanically Trapped Exciplex
Authors of publication	Jeremy K. Klosterman; Munetaka Iwamura; Tahei Tahara; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	9478 - 9479
a	25.993 ± 0.006 Å
b	25.993 ± 0.006 Å
c	31.681 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	21405 ± 8 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.2147
Weighted residual factors for all reflections included in the refinement	0.2349
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178792 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/46.	4104665.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104665.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104665.cif
29691	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104665 via cif-deposit CGI script.	4104665.cif