Crystallography Open Database

Information card for entry 4134517

Preview

Coordinates	4134517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H42 Au4 Cl10 N4
Calculated formula	C73 H42 Au4 Cl10 N4
SMILES	[Au]1[n]2c(cccc2C#Cc2ccccc2C#Cc2[n]([Au][n]3c(cccc3C#Cc3ccccc3)C#Cc3ccccc3C#Cc3[n]1c(ccc3)C#Cc1ccccc1)c(C#Cc1ccccc1)ccc2)C#Cc1ccccc1.[Au](Cl)(Cl)(Cl)[Cl-].[Au](Cl)(Cl)(Cl)[Cl-].ClCCl
Title of publication	Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.
Authors of publication	Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	13
Pages of publication	6439 - 6446
a	26.339 ± 0.003 Å
b	15.8633 ± 0.0015 Å
c	20.316 ± 0.002 Å
α	90°
β	125.911 ± 0.002°
γ	90°
Cell volume	6875.1 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
250062 (current)	2020-04-04	cif/ Updating files of 4134515, 4134516, 4134517 Original log message: Adding full bibliography for 4134515--4134517.cif.	4134517.cif
249632	2020-03-24	cif/ Adding structures of 4134517 via cif-deposit CGI script.	4134517.cif