Crystallography Open Database

Information card for entry 7116193

Preview

Coordinates	7116193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H74 Au Cl N2 P3
Calculated formula	C68 H74 Au Cl N2 P3
Title of publication	P-P σ-bond activation by gold(I) coordination.
Authors of publication	Hinz, Alexander; Schulz, Axel; Villinger, Alexander
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2014
Journal volume	51
Journal issue	7
Pages of publication	1363 - 1366
a	11.4133 ± 0.0011 Å
b	11.8735 ± 0.0013 Å
c	24.862 ± 0.003 Å
α	97.632 ± 0.003°
β	90.569 ± 0.003°
γ	114.933 ± 0.003°
Cell volume	3020 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
180275 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/61.	7116193.cif
129292	2015-01-01	cif/ Adding structures of 7116190, 7116191, 7116192, 7116193 via cif-deposit CGI script.	7116193.cif