Crystallography Open Database

Information card for entry 4336608

Preview

Coordinates	4336608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H108 Mg4 N12 O2 Si4
Calculated formula	C56 H108 Mg4 N12 O2 Si4
SMILES	c1(cc(C)n2C34C(=[N](C(C)C)[Mg](C[Si](C)(C)C)([n]12)[n]1c(cc(C)n31)C)N(C(C)C)[Mg]4(C[Si](C)(C)C)[O]1CC[O](CC1)[Mg]1([C]23C(=[N](C(C)C)[Mg](C[Si](C)(C)C)([n]4c(cc(C)n24)C)[n]2c(cc(C)n32)C)N1C(C)C)C[Si](C)(C)C)C
Title of publication	Heteroscorpionate Magnesium Alkyls Bearing Unprecedented Apical σ-C(sp3)-Mg Bonds: Heteroselective Ring-Opening Polymerization of rac-Lactide
Authors of publication	Andrés Garcés; Luis F. Sánchez-Barba; Juan Fernández-Baeza; Antonio Otero; Manuel Honrado; Agustín Lara-Sánchez; Ana M. Rodríguez
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12691 - 12701
a	11.3786 ± 0.0014 Å
b	12.0645 ± 0.0015 Å
c	14.6022 ± 0.0018 Å
α	70.678 ± 0.002°
β	78.414 ± 0.002°
γ	89.274 ± 0.002°
Cell volume	1850 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336608.cif
102614	2014-02-21	cif/ Adding structures of 4336608 via cif-deposit CGI script.	4336608.cif