Crystallography Open Database

Information card for entry 7023171

Preview

Coordinates	7023171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 N4 O16 Re2
Calculated formula	C26 H46 N4 O16 Re2
SMILES	C(#[O])[Re]12(C#[O])(C#[O])[NH2][C@@H](C(=O)O2)CC(=O)O[Re]2(C#[O])(C#[O])(C#[O])[NH2][C@H](C(=O)O2)CC(=O)O1.C(C)[NH+](CC)CC.O.C(C)[NH+](CC)CC.O
Title of publication	Tricarbonyltechnetium(I) and tricarbonylrhenium(I) complexes of amino acids: crystal and molecular structure of a novel cyclic dimeric Re(CO)3-amino acid complex comprised of the OON donor atom set of the tridentate ligand.
Authors of publication	Nayak, Dipak Kumar; Halder, Kamal Krishna; Baishya, Rinku; Sen, Tuhinadri; Mitra, Partha; Debnath, Mita Chatterjee
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	37
Pages of publication	13565 - 13575
a	7.023 ± 0.004 Å
b	13.883 ± 0.007 Å
c	18.903 ± 0.01 Å
α	90°
β	99.116 ± 0.012°
γ	90°
Cell volume	1819.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
179936 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/31.	7023171.cif
90455	2013-11-17	cif/ Adding structures of 7023170, 7023171 via cif-deposit CGI script.	7023171.cif