Crystallography Open Database

Information card for entry 1543373

Preview

Coordinates	1543373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H86 Au4 Cl2 O4 P4
Calculated formula	C117 H86 Au4 Cl2 O4 P4
Title of publication	Harnessing Fluorescence versus Phosphorescence Ratio via Ancillary Ligand Fine-Tuned MLCT Contribution
Authors of publication	Kondrasenko, Ilya; Chung, Kun-you; Chen, Yi-Ting; Koivistoinen, Juha; Grachova, Elena V.; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2016
Journal volume	120
Journal issue	22
Pages of publication	12196
a	28.678 ± 0.004 Å
b	9.1487 ± 0.0011 Å
c	44.801 ± 0.006 Å
α	90°
β	98.503 ± 0.005°
γ	90°
Cell volume	11625 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0633
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
183593 (current)	2016-06-17	cif/ Updating files of 1543373 Original log message: Adding full bibliography for 1543373.cif.	1543373.cif
183186	2016-06-01	cif/ Adding structures of 1543373 via cif-deposit CGI script.	1543373.cif