Crystallography Open Database

Information card for entry 7716855

Preview

Coordinates	7716855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 F6 In N6 O9 P
Calculated formula	C34 H42 F6 In N6 O9 P
Title of publication	Chelation of [<sup>111</sup>In]In<sup>3+</sup> with the dual-size-selective macrocycles py-macrodipa and py<sub>2</sub>-macrodipa.
Authors of publication	Lee, Kevin K.; Chakraborty, Mou; Hu, Aohan; Kanagasundaram, Thines; Thorek, Daniel L. J.; Wilson, Justin J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	35
Pages of publication	14634 - 14647
a	23.5693 ± 0.0002 Å
b	10.5159 ± 0.0001 Å
c	16.2352 ± 0.0001 Å
α	90°
β	101.975 ± 0.001°
γ	90°
Cell volume	3936.37 ± 0.06 Å³
Cell temperature	100.3 ± 0.8 K
Ambient diffraction temperature	100.3 ± 0.8 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0793
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
295268 (current)	2024-10-06	cif/ Updating files of 7716855, 7716856 Original log message: Adding full bibliography for 7716855--7716856.cif.	7716855.cif
294177	2024-08-21	cif/ Adding structures of 7716855, 7716856 via cif-deposit CGI script.	7716855.cif