Crystallography Open Database

Information card for entry 1556088

Preview

Coordinates	1556088.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ag3Cl2(dppa)3](NO3)
Formula	C72 H63 Ag3 Cl2 N4 O3 P6
Calculated formula	C72 H63 Ag3 Cl2 N4 O3 P6
SMILES	[Ag]123[Cl]4[Ag]5([Cl]1[Ag]4([P](c1ccccc1)(N[P]2(c1ccccc1)c1ccccc1)c1ccccc1)[P](N[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)N[P]3(c1ccccc1)c1ccccc1.O=N(=O)[O-]
Title of publication	Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication
Authors of publication	Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.
Journal of publication	Nanoscale
Year of publication	2019
a	16.0687 ± 0.0003 Å
b	13.7323 ± 0.0002 Å
c	16.9464 ± 0.0003 Å
α	90°
β	113.932 ± 0.002°
γ	90°
Cell volume	3417.91 ± 0.11 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242767 (current)	2019-11-26	cif/ Adding structures of 1556086, 1556087, 1556088, 1556089, 1556090, 1556091 via cif-deposit CGI script.	1556088.cif