Crystallography Open Database

Information card for entry 4343336

Preview

Coordinates	4343336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 N2 O11 Re
Calculated formula	C18 H33 N2 O11 Re
Title of publication	Structure and Properties of fac-[Re(I)(CO)3(NTA)](2-) (NTA(3-) = Trianion of Nitrilotriacetic Acid) and fac-[Re(I)(CO)3(L)](n-) Analogues Useful for Assessing the Excellent Renal Clearance of the fac-[(99m)Tc(I)(CO)3(NTA)](2-) Diagnostic Renal Agent.
Authors of publication	Klenc, Jeffrey; Lipowska, Malgorzata; Abhayawardhana, Pramuditha L.; Taylor, Andrew T.; Marzilli, Luigi G.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6281 - 6290
a	9.4535 ± 0.0005 Å
b	10.0859 ± 0.0005 Å
c	12.784 ± 0.0007 Å
α	90°
β	92.8469 ± 0.0015°
γ	90°
Cell volume	1217.41 ± 0.11 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0158
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0404
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
141349 (current)	2015-07-08	cif/ Updating files of 4343336, 4343337, 4343338, 4343339 Original log message: Adding full bibliography for 4343336--4343339.cif.	4343336.cif
139172	2015-06-14	cif/ Adding structures of 4343336 via cif-deposit CGI script.	4343336.cif