Crystallography Open Database

Information card for entry 4125035

Preview

Coordinates	4125035.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(triphenylphosphoranylidene)ammonium copper dicyanoaurate ethanolate
Formula	C50 H42 Au5 Cu2 N11 O2 P2
Calculated formula	C50 H42 Au5 Cu2 N11 O2 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	27.9505 ± 0.0006 Å
b	15.0898 ± 0.0004 Å
c	13.4803 ± 0.0003 Å
α	90°
β	96.629 ± 0.002°
γ	90°
Cell volume	5647.5 ± 0.2 Å³
Cell temperature	30 K
Ambient diffraction temperature	30 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	0.046
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for all reflections	0.0898
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	0.9915
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
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.	4125035.cif
182268	2016-04-28	cif/ Adding structures of 4125033, 4125034, 4125035, 4125036, 4125037, 4125038, 4125039, 4125040, 4125041, 4125042 via cif-deposit CGI script.	4125035.cif