Crystallography Open Database

Information card for entry 7716856

Preview

Coordinates	7716856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 F6 In N6 O8 P
Calculated formula	C32 H40 F6 In N6 O8 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	9.2106 ± 0.0002 Å
b	14.4787 ± 0.0003 Å
c	14.7558 ± 0.0002 Å
α	65.421 ± 0.002°
β	85.774 ± 0.001°
γ	74.083 ± 0.002°
Cell volume	1719.05 ± 0.07 Å³
Cell temperature	100 ± 0.4 K
Ambient diffraction temperature	100 ± 0.4 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7716856.cif
294177	2024-08-21	cif/ Adding structures of 7716855, 7716856 via cif-deposit CGI script.	7716856.cif