Crystallography Open Database

Information card for entry 4127273

Preview

Coordinates	4127273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H43 Ag Cl N
Calculated formula	C27 H43 Ag Cl N
SMILES	C1(C[C@]2([C@@H]([Ag]Cl)N1c1c(cccc1C(C)C)C(C)C)C[C@@H](CC[C@H]2C(C)C)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	9.17 ± 0.002 Å
b	15.012 ± 0.003 Å
c	9.662 ± 0.002 Å
α	90°
β	93.909 ± 0.004°
γ	90°
Cell volume	1327 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	4127273.cif
215323	2019-05-21	cif/ Adding structures of 4127273 via cif-deposit CGI script.	4127273.cif