Crystallography Open Database

Information card for entry 7019465

7019464 << 7019465 >> 7019466

Preview

Coordinates	7019465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H65 Au Cl14 N3 O6 P
Calculated formula	C58 H65 Au Cl14 N3 O6 P
SMILES	[Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](CCCC)(CCCC)CCCC.[P]123(Oc4c(O1)c(Cl)c(Cl)c(Cl)c4Cl)(Oc1c(O2)c(Cl)c(Cl)c(Cl)c1Cl)Oc1c(O3)c(Cl)c(Cl)c(Cl)c1Cl.C(Cl)Cl
Title of publication	Phosphate binding to the [Au(IPr)] moiety: inner vs. outer sphere coordination behaviour.
Authors of publication	Gaillard, Sylvain; Rix, Diane; Slawin, Alexandra M. Z.; Lacour, Jérôme; Nolan, Steven P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	27
Pages of publication	8235 - 8237
a	15.203 ± 0.002 Å
b	20.357 ± 0.003 Å
c	24.945 ± 0.004 Å
α	110.743 ± 0.008°
β	98.496 ± 0.007°
γ	94.591 ± 0.007°
Cell volume	7067 ± 1.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2159
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179898 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94.	7019465.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019465.cif
62876	2012-07-09	cif/ Adding structures of 7019465, 7019466 via cif-deposit CGI script.	7019465.cif