Crystallography Open Database

Information card for entry 4123584

Preview

Coordinates	4123584.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane
Formula	C9 H18 N3 P
Calculated formula	C9 H18 N3 P
SMILES	C1N2CCN3CP1CN(CC2)CC3
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	15.7917 ± 0.0002 Å
b	15.7917 ± 0.0002 Å
c	15.7917 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3938.1 ± 0.09 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.232
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
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.	4123584.cif
136284	2015-05-13	cif/ Adding structures of 4123584 via cif-deposit CGI script.	4123584.cif