Crystallography Open Database

Information card for entry 7113079

Preview

Coordinates	7113079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H90 F48 N16 O P8 Pd2
Calculated formula	C66 H90 F48 N16 O P8 Pd2
Title of publication	Directed self-assembly of a ring-in-ring complex.
Authors of publication	Forgan, Ross S.; Friedman, Douglas C.; Stern, Charlotte L.; Bruns, Carson J.; Stoddart, J. Fraser
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	32
Pages of publication	5861 - 5863
a	8.719 ± 0.002 Å
b	13.919 ± 0.003 Å
c	22.991 ± 0.006 Å
α	67.791 ± 0.02°
β	79.998 ± 0.019°
γ	76.088 ± 0.019°
Cell volume	2496.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1391
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.2187
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113079.cif
112244	2014-04-30	cif/ Adding structures of 7113079, 7113080, 7113081 via cif-deposit CGI script.	7113079.cif