Crystallography Open Database

Information card for entry 7023170

Preview

Coordinates	7023170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H11 N2 O7 Re
Calculated formula	C6 H11 N2 O7 Re
SMILES	[Re]12([NH2]CC(C(=O)O1)[NH2]2)(C#[O])(C#[O])C#[O].O.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	6.5523 ± 0.0004 Å
b	13.362 ± 0.0009 Å
c	12.2912 ± 0.0008 Å
α	90°
β	95.595 ± 0.002°
γ	90°
Cell volume	1070.99 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0531
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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.	7023170.cif
90455	2013-11-17	cif/ Adding structures of 7023170, 7023171 via cif-deposit CGI script.	7023170.cif