Crystallography Open Database

Information card for entry 7028545

Preview

Coordinates	7028545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H42.5 Cl2 Cu N7.5 O11
Calculated formula	C21 H42.5 Cl2 Cu N7.5 O11
Title of publication	PET imaging of tumours with a 64Cu labeled macrobicyclic cage amine ligand tethered to Tyr3-octreotate.
Authors of publication	Paterson, Brett M.; Roselt, Peter; Denoyer, Delphine; Cullinane, Carleen; Binns, David; Noonan, Wayne; Jeffery, Charmaine M.; Price, Roger I.; White, Jonathan M.; Hicks, Rodney J.; Donnelly, Paul S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	1386 - 1396
a	15.5144 ± 0.0003 Å
b	8.9798 ± 0.0002 Å
c	42.7107 ± 0.0011 Å
α	90°
β	94.906 ± 0.002°
γ	90°
Cell volume	5928.5 ± 0.2 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028545.cif
105359	2014-03-12	cif/ Adding structures of 7028545 via cif-deposit CGI script.	7028545.cif