Crystallography Open Database

Information card for entry 4087009

Preview

Coordinates	4087009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 Mg N6
Calculated formula	C22 H38 Mg N6
SMILES	[Mg]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)/C(=N\C(C)C)N2C(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	8.281 ± 0.0012 Å
b	11.426 ± 0.0019 Å
c	14.823 ± 0.002 Å
α	67.454 ± 0.008°
β	77.603 ± 0.009°
γ	78.785 ± 0.009°
Cell volume	1255.3 ± 0.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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.	4087009.cif
191295	2017-02-04	cif/ Adding structures of 4087009, 4087010, 4087011, 4087012, 4087013, 4087014, 4087015, 4087016 via cif-deposit CGI script.	4087009.cif