Crystallography Open Database

Information card for entry 4109946

Preview

Coordinates	4109946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121.5 H56 Au2 Cl F30 N6 O1.5
Calculated formula	C121.5 H56 Au2 Cl F30 N6 O1.5
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	25.078 ± 0.005 Å
b	33.677 ± 0.006 Å
c	25.573 ± 0.005 Å
α	90°
β	105.052 ± 0.004°
γ	90°
Cell volume	20857 ± 7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1604
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.1948
Weighted residual factors for all reflections included in the refinement	0.2434
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
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.	4109946.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109946.cif
58725	2012-05-30	cif/ Adding structures of 4109946 via cif-deposit CGI script.	4109946.cif