Crystallography Open Database

Information card for entry 4109945

Preview

Coordinates	4109945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H2 Au2 Br8 Cl11 F30 N6
Calculated formula	C73 H2 Au2 Br8 Cl11 F30 N6
Title of publication	Peripheral Fabrications of a Bis-Gold(III) Complex of [26]Hexaphyrin(1.1.1.1.1.1) and Aromatic versus Antiaromatic Effect on Two-Photon Absorption Cross Section
Authors of publication	Shigeki Mori; Kil Suk Kim; Zin Seok Yoon; Su Bum Noh; Dongho Kim; Atsuhiro Osuka
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11344 - 11345
a	15.2156 ± 0.0013 Å
b	17.4112 ± 0.0015 Å
c	18.4238 ± 0.0016 Å
α	68.587 ± 0.001°
β	88.406 ± 0.001°
γ	71.424 ± 0.001°
Cell volume	4285.5 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0878
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1948
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178845 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99.	4109945.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109945.cif
58724	2012-05-30	cif/ Adding structures of 4109945 via cif-deposit CGI script.	4109945.cif