Crystallography Open Database

Information card for entry 4125041

Preview

Coordinates	4125041.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(triphenylphosphoranylidene)ammonium dicyanoaurate
Formula	C38 H30 Au N3 P2
Calculated formula	C38 H30 Au N3 P2
Title of publication	Dicyanometallates as Model Extended Frameworks.
Authors of publication	Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	18
Pages of publication	5886 - 5896
a	9.7335 ± 0.0003 Å
b	11.0381 ± 0.0005 Å
c	17.0129 ± 0.0005 Å
α	73.058 ± 0.003°
β	81.926 ± 0.002°
γ	79.666 ± 0.003°
Cell volume	1712.6 ± 0.11 Å³
Cell temperature	280 ± 0.2 K
Ambient diffraction temperature	280 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for all reflections	0.0534
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	0.9995
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
183564 (current)	2016-06-17	cif/ Updating files of 4125033, 4125034, 4125035, 4125036, 4125037, 4125038, 4125039, 4125040, 4125041, 4125042 Original log message: Adding full bibliography for 4125033--4125042.cif.	4125041.cif
182268	2016-04-28	cif/ Adding structures of 4125033, 4125034, 4125035, 4125036, 4125037, 4125038, 4125039, 4125040, 4125041, 4125042 via cif-deposit CGI script.	4125041.cif