Crystallography Open Database

Information card for entry 4342272

Preview

Coordinates	4342272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.5 H72.5 Cl3 Ga3 N12 O26.5
Calculated formula	C61.62 H72.48 Cl3 Ga3 N12 O26.62
Title of publication	H2CHXdedpa and H4CHXoctapa-Chiral Acyclic Chelating Ligands for (67/68)Ga and (111)In Radiopharmaceuticals.
Authors of publication	Ramogida, Caterina F.; Cawthray, Jacqueline F.; Boros, Eszter; Ferreira, Cara L.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	2017 - 2031
a	11.777 ± 0.004 Å
b	19.775 ± 0.006 Å
c	14.964 ± 0.005 Å
α	90°
β	93.24 ± 0.02°
γ	90°
Cell volume	3479 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4342272.cif
132825	2015-03-04	cif/ Updating files of 4342271, 4342272 Original log message: Adding full bibliography for 4342271--4342272.cif.	4342272.cif
130494	2015-02-04	cif/ Adding structures of 4342272 via cif-deposit CGI script.	4342272.cif