Crystallography Open Database

Information card for entry 4123580

Preview

Coordinates	4123580.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) chloride (hydrogen chloride) octahydrate
Formula	C27 H78.06 Au Cl8.5 N9 O8.28 P3
Calculated formula	C27 H65 Au Cl8.5 N9 O8.281 P3
Title of publication	Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.
Authors of publication	Britvin, Sergey N.; Lotnyk, Andriy
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	16
Pages of publication	5526 - 5535
a	13.8404 ± 0.0003 Å
b	14.4921 ± 0.0003 Å
c	14.5521 ± 0.0004 Å
α	60.468 ± 0.003°
β	80.794 ± 0.002°
γ	85.313 ± 0.002°
Cell volume	2506.87 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0372
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
138212 (current)	2015-06-05	cif/ Updating files of 4123579, 4123580, 4123581, 4123582, 4123583, 4123584, 4123585, 4123586 Original log message: Adding full bibliography for 4123579--4123586.cif.	4123580.cif
136280	2015-05-13	cif/ Adding structures of 4123580 via cif-deposit CGI script.	4123580.cif