Crystallography Open Database

Information card for entry 7036685

Preview

Coordinates	7036685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H28 Co I2 N5 O5
Calculated formula	C10 H28 Co I2 N5 O5
SMILES	[I-].[I-].[Co]1234(OC(=O)C([NH2]4)(C(O)O)C)[N](CC[NH2]1)(CC[NH2]2)CC[NH2]3.O
Title of publication	Stereoretentive formylation of (S)-proline: new application of the self-regeneration of stereo-centres (SRS) principle via chelation to cobalt(iii).
Authors of publication	Temizsoy, Mehmet; Sethi, Waqas; Reinholdt, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Hammershøi, Anders
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	42
Pages of publication	18438 - 18446
a	21.619 ± 0.003 Å
b	9.0014 ± 0.001 Å
c	22.283 ± 0.003 Å
α	90°
β	117.732 ± 0.006°
γ	90°
Cell volume	3838.2 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
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	0.0766
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
171282 (current)	2015-12-09	cif/ Updating files of 7036685, 7036686, 7036687 Original log message: Adding full bibliography for 7036685--7036687.cif.	7036685.cif
159045	2015-09-30	cif/ Adding structures of 7036685, 7036686, 7036687 via cif-deposit CGI script.	7036685.cif