Crystallography Open Database

Information card for entry 4515115

Preview

Coordinates	4515115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 Au2 F12 N10 P2
Calculated formula	C34 H42 Au2 F12 N10 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[Au]2=C3N(C)C=CN3CCCc3[n+](C)nn(c3[Au]=C1N(C)C=CN1CCCc1[n+](C)nn(c21)Cc1ccccc1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.
Authors of publication	Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	2
Pages of publication	4192 - 4205
a	8.3231 ± 0.0004 Å
b	18.3439 ± 0.0009 Å
c	26.7035 ± 0.0013 Å
α	90°
β	91.709 ± 0.002°
γ	90°
Cell volume	4075.2 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0605
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
220232 (current)	2019-10-28	cif/ Adding structures of 4515115, 4515116, 4515117, 4515118 via cif-deposit CGI script.	4515115.cif