Crystallography Open Database

Information card for entry 4132473

Preview

Coordinates	4132473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H59 Au Cl10 N4 O6
Calculated formula	C58 H59 Au Cl10 N4 O6
SMILES	C1NC(=O)c2cc(cc(c2)C(C)(C)C)C(=O)NCc2c3ccccc3c(CNC(=O)c3cc(cc(c3)C(C)(C)C)C(=O)NCc3c4ccccc4c1c1ccccc31)c1c2cccc1.[Au](Cl)(Cl)(Cl)[Cl-].C(Cl)(Cl)Cl.[OH2][H][OH2].C(Cl)(Cl)Cl
Title of publication	Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.
Authors of publication	Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	22
Pages of publication	6810 - 6813
a	9.4815 ± 0.0013 Å
b	11.0063 ± 0.0015 Å
c	14.569 ± 0.0019 Å
α	83.563 ± 0.002°
β	83.05 ± 0.002°
γ	80.654 ± 0.002°
Cell volume	1482.5 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
242446 (current)	2019-11-26	cif/ Adding structures of 4132473 via cif-deposit CGI script.	4132473.cif