Crystallography Open Database

Information card for entry 4132470

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Coordinates	4132470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H73 Cl N4 O6 S2
Calculated formula	C52.5 H73 Cl N4 O6 S2
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	17.2894 ± 0.0003 Å
b	11.2213 ± 0.0002 Å
c	27.5815 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5351.07 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1954
Weighted residual factors for all reflections included in the refinement	0.2057
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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