Crystallography Open Database

Information card for entry 7046017

Preview

Coordinates	7046017.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cmpd_1
Formula	C15 H19 Cl Mn N2 O5
Calculated formula	C15 H19 Cl Mn N2 O5
Title of publication	Transition metal complexes of a versatile polyalkoxy oxazolidine-based ligand derived from in situ cyclization.
Authors of publication	Saleem, Ayaan; Kobielska, Paulina A.; Harms, Klaus; Katsikogianni, Maria G.; Telford, Richard; Novitchi, Ghenadie; Nayak, Sanjit
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	17
Pages of publication	6156 - 6165
a	13.1683 ± 0.0005 Å
b	8.5529 ± 0.0003 Å
c	14.3906 ± 0.0006 Å
α	90°
β	91.695 ± 0.002°
γ	90°
Cell volume	1620.06 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0379
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229546 (current)	2019-11-17	cif/ Updating files of 7046012, 7046013, 7046014, 7046015, 7046016, 7046017 Original log message: Adding full bibliography for 7046012--7046017.cif.	7046017.cif
211179	2018-09-26	cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces.	7046017.cif
207290	2018-04-11	cif/ Adding structures of 7046012, 7046013, 7046014, 7046015, 7046016, 7046017 via cif-deposit CGI script.	7046017.cif