Crystallography Open Database

Information card for entry 7702072

7702071 << 7702072 >> 7702073

Preview

Coordinates	7702072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H37 Cu N10 O8
Calculated formula	C32 H37 Cu N10 O8
Title of publication	Evaluation of H2CHXdedpa, H2dedpa- and H2CHXdedpa-N,N'-propyl-2-NI ligands for (64)Cu(ii) radiopharmaceuticals.
Authors of publication	Ramogida, Caterina F.; Boros, Eszter; Patrick, Brian O.; Zeisler, Stefan K.; Kumlin, Joel; Adam, Michael J.; Schaffer, Paul; Orvig, Chris
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	33
Pages of publication	13082 - 13090
a	8.344 ± 0.001 Å
b	8.344 Å
c	44.637 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3107.7 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
234730 (current)	2019-11-23	cif/ Adding structures of 7702071, 7702072 via cif-deposit CGI script.	7702072.cif