Crystallography Open Database

Information card for entry 4068963

Preview

Coordinates	4068963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 B9 N O3 Re
Calculated formula	C10.01 H15 B9 N0.99 O3 Re
Title of publication	Functionalized Carborane Complexes of the [M(CO)2(NO)]2+Core (M =99mTc, Re): A New Class of Organometallic Probes for Correlatedin Vitroandin VivoImaging
Authors of publication	Armstrong, Andrea F.; Lebert, Julie M.; Brennan, John D.; Valliant, John F.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	10
Pages of publication	2986
a	8.0428 ± 0.0009 Å
b	7.0814 ± 0.0008 Å
c	29.321 ± 0.003 Å
α	90°
β	96.073 ± 0.002°
γ	90°
Cell volume	1660.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections included in the refinement	0.875
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068963.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068963.cif
40065	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068963 via cif-deposit CGI script.	4068963.cif