Crystallography Open Database

Information card for entry 7710421

Preview

Coordinates	7710421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H45 N4 O14 P3
Calculated formula	C13 H41 N4 O14 P3
Title of publication	Cyclam with a phosphinate-bis(phosphonate) pendant arm is a bone-targeting carrier of copper radionuclides.
Authors of publication	Pazderová, Lucia; Benešová, Martina; Havlíčková, Jana; Vojtíčková, Margareta; Kotek, Jan; Lubal, Přemysl; Ullrich, Martin; Walther, Martin; Schulze, Sabine; Neuber, Christin; Rammelt, Stefan; Pietzsch, Hans-Jürgen; Pietzsch, Jens; Kubíček, Vojtěch; Hermann, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	24
Pages of publication	9541 - 9555
a	13.2069 ± 0.0004 Å
b	16.4828 ± 0.0006 Å
c	22.8799 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4980.6 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276608 (current)	2022-07-06	cif/ Updating files of 7710421 Original log message: Adding full bibliography for 7710421.cif.	7710421.cif
275889	2022-06-08	cif/ Adding structures of 7710421 via cif-deposit CGI script.	7710421.cif