Crystallography Open Database

Information card for entry 7036989

Preview

Coordinates	7036989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H61 Mn N2 O5
Calculated formula	C39 H61 Mn N2 O5
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	10.5736 ± 0.0008 Å
b	12.2554 ± 0.0009 Å
c	16.4321 ± 0.0013 Å
α	104.32 ± 0.005°
β	103.352 ± 0.005°
γ	92.336 ± 0.005°
Cell volume	1996.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.216
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7036989.cif
169882	2015-10-30	cif/ Adding structures of 7036988, 7036989, 7036990, 7036991 via cif-deposit CGI script.	7036989.cif