Crystallography Open Database

Information card for entry 4116219

Preview

Coordinates	4116219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C209.5 H182 Cl2 N10 Pd2.5
Calculated formula	C209.5 H182 Cl2 N10 Pd2.5
Title of publication	Porphyrin-Fullerene Host-Guest Chemistry
Authors of publication	Dayong Sun; Fook S. Tham; Christopher A. Reed; Leila Chaker; Michael Burgess; Peter D. W. Boyd
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	10704 - 10705
a	27.863 ± 0.003 Å
b	43.569 ± 0.003 Å
c	29.333 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	35609 ± 5 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1281
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.2745
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116219.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116219.cif
70800	2013-01-05	cif/ Adding structures of 4116219 via cif-deposit CGI script.	4116219.cif