Crystallography Open Database

Information card for entry 4127272

Preview

Coordinates	4127272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H51 Ag N2
Calculated formula	C39 H51 Ag N2
SMILES	c12ccccc1c1ccccc1n2[Ag]=C1[C@@]2(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)C[C@@H](CC[C@H]2C(C)C)C
Title of publication	"Quick-Silver" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.
Authors of publication	Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	21
Pages of publication	8616 - 8626
a	9.786 ± 0.002 Å
b	18.799 ± 0.005 Å
c	18.955 ± 0.005 Å
α	90°
β	90.261 ± 0.005°
γ	90°
Cell volume	3487.1 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
223206 (current)	2019-11-04	cif/ Updating files of 4127272, 4127273, 4127274, 4127275, 4127276 Original log message: Adding full bibliography for 4127272--4127276.cif.	4127272.cif
215322	2019-05-21	cif/ Adding structures of 4127272 via cif-deposit CGI script.	4127272.cif