Crystallography Open Database

Information card for entry 7113080

Preview

Coordinates	7113080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C297 H380 F96 N38 O64 P16 Pd4
Calculated formula	C297 H380 F96 N38 O64 P16 Pd4
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	19.0335 ± 0.0006 Å
b	21.1652 ± 0.0007 Å
c	26.7873 ± 0.0008 Å
α	72.664 ± 0.002°
β	79.146 ± 0.002°
γ	71.025 ± 0.002°
Cell volume	9691.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.169
Residual factor for significantly intense reflections	0.1125
Weighted residual factors for significantly intense reflections	0.3009
Weighted residual factors for all reflections included in the refinement	0.3507
Goodness-of-fit parameter for all reflections included in the refinement	1.262
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.	7113080.cif
112244	2014-04-30	cif/ Adding structures of 7113079, 7113080, 7113081 via cif-deposit CGI script.	7113080.cif