Crystallography Open Database

Information card for entry 4087011

Preview

Coordinates	4087011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 Mg N6
Calculated formula	C24 H42 Mg N6
SMILES	[Mg]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)/C(=N\C(C)(C)C)N2C(C)(C)C)C(C)(C)C
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	12.3315 ± 0.0006 Å
b	13.9898 ± 0.0007 Å
c	15.2758 ± 0.0007 Å
α	90°
β	91.561 ± 0.002°
γ	90°
Cell volume	2634.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0468
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4087011.cif
191295	2017-02-04	cif/ Adding structures of 4087009, 4087010, 4087011, 4087012, 4087013, 4087014, 4087015, 4087016 via cif-deposit CGI script.	4087011.cif