Crystallography Open Database

Information card for entry 4087013

Preview

Coordinates	4087013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H132 Mg4 N12 O4
Calculated formula	C81 H132 Mg4 N12 O4
Title of publication	Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide
Authors of publication	Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	4
Pages of publication	884
a	12.359 ± 0.005 Å
b	13.722 ± 0.006 Å
c	14.25 ± 0.006 Å
α	80.692 ± 0.008°
β	71.671 ± 0.009°
γ	72.856 ± 0.008°
Cell volume	2185.8 ± 1.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 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	0.2094
Residual factor for significantly intense reflections	0.1141
Weighted residual factors for significantly intense reflections	0.2646
Weighted residual factors for all reflections included in the refinement	0.3149
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
193614 (current)	2017-03-04	cif/ Updating files of 4087009, 4087010, 4087011, 4087012, 4087013, 4087014, 4087015, 4087016 Original log message: Adding full bibliography for 4087009--4087016.cif.	4087013.cif
191295	2017-02-04	cif/ Adding structures of 4087009, 4087010, 4087011, 4087012, 4087013, 4087014, 4087015, 4087016 via cif-deposit CGI script.	4087013.cif