Crystallography Open Database

Information card for entry 4116922

Preview

Coordinates	4116922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 N8 Zn2
Calculated formula	C60 H72 N8 Zn
Title of publication	The Use of Dipyrromethene Ligands in Supramolecular Chemistry
Authors of publication	Yongjun Zhang; Alison Thompson; Steven J. Rettig; David Dolphin
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	13537 - 13538
a	14.3337 ± 0.0012 Å
b	26.1271 ± 0.0004 Å
c	28.7758 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	10776.5 ± 1 Å³
Cell temperature	180.2 K
Ambient diffraction temperature	180.2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections	1.582
Goodness-of-fit parameter for all reflections included in the refinement	1.58
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4116922.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116922.cif
73134	2013-02-10	cif/ Adding structures of 4116922 via cif-deposit CGI script.	4116922.cif