Crystallography Open Database

Information card for entry 4333973

Preview

Coordinates	4333973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 F6 N3 O5 P Re S
Calculated formula	C16 H15 F6 N3 O5 P Re S
Title of publication	Formation of a Metal-to-Nitrogen Bond of Normal Length by a Neutral Sufonamide Group within a Tridentate Ligand. A New Approach to Radiopharmaceutical Bioconjugation
Authors of publication	Theshini Perera; Pramuditha Abhayawardhana; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2412 - 2421
a	20.549 ± 0.002 Å
b	20.297 ± 0.002 Å
c	12.5771 ± 0.001 Å
α	90°
β	123.039 ± 0.004°
γ	90°
Cell volume	4397.5 ± 0.7 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	8
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	0.038
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179442 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/39.	4333973.cif
99782	2014-02-03	cif/ Adding structures of 4333973 via cif-deposit CGI script.	4333973.cif