Crystallography Open Database

Information card for entry 4125038

Preview

Coordinates	4125038.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate ethanolate
Formula	C48 H48.87 Ag3 Cd N7 O3.44 P2
Calculated formula	C48 H48.873 Ag3 Cd N7 O3.437 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	21.7394 ± 0.0003 Å
b	21.7394 ± 0.0003 Å
c	21.7394 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10274.1 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for all reflections	0.0875
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
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.	4125038.cif
182268	2016-04-28	cif/ Adding structures of 4125033, 4125034, 4125035, 4125036, 4125037, 4125038, 4125039, 4125040, 4125041, 4125042 via cif-deposit CGI script.	4125038.cif