Crystallography Open Database

Information card for entry 4320307

4320306 << 4320307 >> 4320308

Preview

Coordinates	4320307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Cr N3 O6
Calculated formula	C12 H24 Cr N3 O6
SMILES	C1(=O)O[Cr]23([NH2]C1(C)C)([NH2]C(C(=O)O2)(C)C)[NH2]C(C(=O)O3)(C)C
Title of publication	Dinuclear Chromium(V) Amino Acid Complexes from the Reduction of Chromium(VI) in the Presence of Amino Acid Ligands: XAFS Characterization of a Chromium(V) Amino Acid Complex
Authors of publication	Henrietta A. Headlam; Colin L. Weeks; Peter Turner; Trevor W. Hambley; Peter A. Lay
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5097 - 5105
a	17.301 ± 0.008 Å
b	17.301 ± 0.008 Å
c	9.686 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	2511 ± 2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1537
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179306 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03.	4320307.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320307.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320307.cif
17211	2011-04-05	../uploads/cif-deposit/cod/cif Adding structures of 4320307 via cif-deposit CGI script.	4320307.cif