Crystallography Open Database

Information card for entry 4072719

Preview

Coordinates	4072719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H103 Au4 Cl4 N4 O5.5 P4
Calculated formula	C96 H62 Au4 Cl4 N4 O5.5 P4
Title of publication	Tetranuclear Macrocyclic Gold(I) Alkynyl Phosphine Complex Containing Azobenzene Functionalities: A Dual-Input Molecular Logic with Photoswitching Behavior Controllable via Silver(I) Coordination/Decoordination
Authors of publication	Tang, Hau-San; Zhu, Nianyong; Yam, Vivian Wing-Wah
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	1
Pages of publication	22
a	36.738 ± 0.007 Å
b	24.734 ± 0.005 Å
c	27.013 ± 0.005 Å
α	90°
β	121.94 ± 0.03°
γ	90°
Cell volume	20830 ± 10 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.1235
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.2042
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71069 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.	4072719.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072719.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072719.cif
45967	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072719 via cif-deposit CGI script.	4072719.cif