Crystallography Open Database

Information card for entry 7036990

Preview

Coordinates	7036990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H56 Cl Mn N2 O4
Calculated formula	C37 H56 Cl Mn N2 O4
SMILES	[Mn]123(Cl)(Oc4c(cc(cc4C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)Cc1[n]3cccc1)C(C)(C)C)C(C)(C)C)[OH]C.O
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	15.2595 ± 0.0008 Å
b	15.959 ± 0.0009 Å
c	15.8429 ± 0.0009 Å
α	90°
β	106.365 ± 0.004°
γ	90°
Cell volume	3701.9 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1884
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.2611
Weighted residual factors for all reflections included in the refinement	0.3137
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
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.	7036990.cif
169882	2015-10-30	cif/ Adding structures of 7036988, 7036989, 7036990, 7036991 via cif-deposit CGI script.	7036990.cif