Crystallography Open Database

Information card for entry 1503633

Preview

Coordinates	1503633.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[R1R2Re(CO)3] + acetone
Formula	C24 H19 F3 N5 O9 Re
Calculated formula	C24 H19 F3 N5 O9 Re
Title of publication	Synthesis and characterization of nonsteroidal-linked M(CO)(3)+ (M = 99mTc, Re) compounds based on the androgen receptor targeting molecule flutamide.
Authors of publication	He, Haiyang; Morely, Jennifer E.; Silva-Lopez, Elsa; Bottenus, Brienne; Montajano, Maribel; Fugate, Glenn A.; Twamley, Brendan; Benny, Paul D.
Journal of publication	Bioconjugate chemistry
Year of publication	2009
Journal volume	20
Journal issue	1
Pages of publication	78 - 86
a	19.0902 ± 0.0011 Å
b	14.6852 ± 0.0008 Å
c	20.6888 ± 0.0012 Å
α	90°
β	100.591 ± 0.001°
γ	90°
Cell volume	5701.2 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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	0.0233
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503633.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503633.cif
38821	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503633 via cif-deposit CGI script.	1503633.cif