Crystallography Open Database

Information card for entry 7036991

Preview

Coordinates	7036991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Cl5 Mn N2 O3
Calculated formula	C21 H18 Cl5 Mn N2 O3
SMILES	[Mn]123(Cl)(Oc4c(Cl)cc(Cl)cc4C[N]2(Cc2c(O1)c(Cl)cc(Cl)c2)Cc1[n]3cccc1)[OH]C
Title of publication	Exploring the reactivity of manganese(iii) complexes with diphenolate-diamino ligands in rac-lactide polymerization.
Authors of publication	Daneshmand, Pargol; Schaper, Frank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20449 - 20458
a	12.7413 ± 0.0007 Å
b	13.0938 ± 0.0007 Å
c	16.8087 ± 0.0009 Å
α	90°
β	100.589 ± 0.002°
γ	90°
Cell volume	2756.5 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
171258 (current)	2015-12-09	cif/ Updating files of 7036988, 7036989, 7036990, 7036991 Original log message: Adding full bibliography for 7036988--7036991.cif.	7036991.cif
169882	2015-10-30	cif/ Adding structures of 7036988, 7036989, 7036990, 7036991 via cif-deposit CGI script.	7036991.cif