Crystallography Open Database

Information card for entry 4125040

Preview

Coordinates	4125040.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate
Formula	C42 H30 Au3 Cd N7 P2
Calculated formula	C42 H30 Au3 Cd N7 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	16.8455 ± 0.0003 Å
b	12.7383 ± 0.0003 Å
c	20.8965 ± 0.0003 Å
α	90°
β	92.3725 ± 0.0016°
γ	90°
Cell volume	4480.19 ± 0.15 Å³
Cell temperature	292 K
Ambient diffraction temperature	292 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for all reflections	0.0549
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	0.9997
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4125040.cif
182268	2016-04-28	cif/ Adding structures of 4125033, 4125034, 4125035, 4125036, 4125037, 4125038, 4125039, 4125040, 4125041, 4125042 via cif-deposit CGI script.	4125040.cif