Crystallography Open Database

Information card for entry 4342303

Preview

Coordinates	4342303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N5 O7 Re S
Calculated formula	C22 H22 N5 O7 Re S
Title of publication	Imidazole-based [2 + 1] re(i)/(99m)tc(i) complexes as isostructural nuclear and optical probes.
Authors of publication	Yazdani, Abdolreza; Janzen, Nancy; Banevicius, Laura; Czorny, Shannon; Valliant, John F.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1728 - 1736
a	12.8456 ± 0.0004 Å
b	9.6955 ± 0.0003 Å
c	21.2199 ± 0.0007 Å
α	90°
β	101.304 ± 0.0018°
γ	90°
Cell volume	2591.55 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0265
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179526 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23.	4342303.cif
132834	2015-03-04	cif/ Updating files of 4342302, 4342303 Original log message: Adding full bibliography for 4342302--4342303.cif.	4342303.cif
130510	2015-02-04	cif/ Adding structures of 4342302, 4342303 via cif-deposit CGI script.	4342303.cif