Crystallography Open Database

Information card for entry 4111372

Preview

Coordinates	4111372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H149.5 N42 O53.25 Pd6
Calculated formula	C122.016 H116.01 N42 O53.25 Pd6
Title of publication	Engineering Stacks of Aromatic Rings by the Interpenetration of Self-Assembled Coordination Cages
Authors of publication	Yoshihiro Yamauchi; Michito Yoshizawa; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5832 - 5833
a	18.0961 ± 0.0019 Å
b	18.915 ± 0.002 Å
c	26.033 ± 0.003 Å
α	80.349 ± 0.001°
β	70.276 ± 0.001°
γ	63.317 ± 0.001°
Cell volume	7493.3 ± 1.4 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178884 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/13.	4111372.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111372.cif
60900	2012-06-19	cif/ Adding structures of 4111372 via cif-deposit CGI script.	4111372.cif