Crystallography Open Database

Information card for entry 4324114

Preview

Coordinates	4324114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H46 Cl2 Co N5 O11
Calculated formula	C24 H44 Cl2 Co N5 O11
SMILES	[Co]1234(OC(=O)[C@H]([NH2]4)c4ccccc4)[NH]4[C@@H](CC)C[NH]1[C@@H](CC)C[NH]2[C@@H](CC)C[NH]3[C@@H](CC)C4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
Title of publication	Chiral Recognition of α-Amino Acids by an Optically Active (2S,5S,8S,11S)-2,5,8,11-Tetraethyl Cyclen Cobalt(III) Complex
Authors of publication	Shohei Tashiro; Yasuyo Ogura; Sei Tsuboyama; Kaoru Tsuboyama; Mitsuhiko Shionoya
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4 - 6
a	12.5046 ± 0.0012 Å
b	12.9421 ± 0.0012 Å
c	19.3464 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3130.9 ± 0.5 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.1677
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324114.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324114.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324114.cif
24405	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324114 via cif-deposit CGI script.	4324114.cif