Crystallography Open Database

Information card for entry 7702071

7702070 << 7702071 >> 7702072

Preview

Coordinates	7702071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38.19 Cu N10 O12.19
Calculated formula	C28 H38.19 Cu N10 O12.19
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	13.1713 ± 0.0014 Å
b	15.9359 ± 0.0016 Å
c	31.481 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6607.8 ± 1.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90.15 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	0.0592
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7702071.cif