Crystallography Open Database

Information card for entry 7113081

Preview

Coordinates	7113081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H162.5 F48 N18.5 O15.5 P8 Pd2
Calculated formula	C117 H162.5 F48 N18.5 O15.5 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	18.2493 ± 0.0003 Å
b	17.8612 ± 0.0003 Å
c	23.4887 ± 0.0003 Å
α	90°
β	92.936 ± 0.001°
γ	90°
Cell volume	7646.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.127
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2422
Weighted residual factors for all reflections included in the refinement	0.284
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113081.cif
112244	2014-04-30	cif/ Adding structures of 7113079, 7113080, 7113081 via cif-deposit CGI script.	7113081.cif