Crystallography Open Database

Information card for entry 7039206

Preview

Coordinates	7039206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 Au2 F12 N9 P2
Calculated formula	C30 H28 Au2 F12 N9 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[Au]1=C2N(C)C=CN2c2ccccc2N2C(=[Au]=C3N(C)C=CN3c3ccccc3N3C=1N(C)C=C3)N(C)C=C2.C(#N)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.
Authors of publication	Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	23
Pages of publication	9540 - 9552
a	12.899 ± 0.003 Å
b	17.022 ± 0.005 Å
c	17.781 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3904.1 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
185523 (current)	2016-08-07	cif/ Updating files of 7039203, 7039204, 7039205, 7039206, 7039207, 7039208 Original log message: Adding full bibliography for 7039203--7039208.cif.	7039206.cif
182829	2016-05-07	cif/ Adding structures of 7039203, 7039204, 7039205, 7039206, 7039207, 7039208 via cif-deposit CGI script.	7039206.cif