Crystallography Open Database

Information card for entry 4125039

Preview

Coordinates	4125039.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(triphenylphosphoranylidene)ammonium manganese dicyanoaurate
Formula	C42 H30 Au3 Mn N7 P2
Calculated formula	C42 H30 Au3 Mn 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	16.7035 ± 0.0003 Å
b	12.5777 ± 0.0003 Å
c	20.6707 ± 0.0004 Å
α	90°
β	92.5382 ± 0.001°
γ	90°
Cell volume	4338.48 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0435
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for all reflections	0.0717
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	0.9881
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4125039.cif
182268	2016-04-28	cif/ Adding structures of 4125033, 4125034, 4125035, 4125036, 4125037, 4125038, 4125039, 4125040, 4125041, 4125042 via cif-deposit CGI script.	4125039.cif