Crystallography Open Database

Information card for entry 4065082

Preview

Coordinates	4065082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 Au2 Cl N2 P
Calculated formula	C31 H34 Au2 Cl N2 P
SMILES	[Au]1([Au](Cl)[N](=CN1c1c(cccc1C)C)c1c(cccc1C)C)C[P+](C)(c1ccccc1)c1ccccc1
Title of publication	Novel Mixed Coordination of N and C Donors to Gold‒Gold Centers
Authors of publication	Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, John P.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	20
Pages of publication	5374
a	10.58 ± 0.006 Å
b	16.133 ± 0.009 Å
c	18.634 ± 0.01 Å
α	90°
β	104.024 ± 0.008°
γ	90°
Cell volume	3086 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
178503 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/50.	4065082.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065082.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065082.cif
33152	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065081, 4065082, 4065083, 4065084 via cif-deposit CGI script.	4065082.cif