Crystallography Open Database

Information card for entry 1550057

Preview

Coordinates	1550057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H30 Cl4 Mg N4 O2
Calculated formula	C25.5 H30 Cl4 Mg N4 O2
SMILES	Clc1c(O[Mg]234Oc5c(Cl)cc(Cl)cc5C=[N]2CC[N]3(C)C)c(cc(Cl)c1)C=[N]4CCN(C)C.c1(ccccc1)C
Title of publication	Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide
Authors of publication	McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	44
Pages of publication	5339
a	39.731 ± 0.004 Å
b	11.9213 ± 0.0009 Å
c	23.8229 ± 0.0019 Å
α	90°
β	99.266 ± 0.008°
γ	90°
Cell volume	11136.4 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.11 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.159
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation probe	x-ray
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
230953 (current)	2019-11-17	cif/ Updating files of 1550055, 1550056, 1550057, 1550058, 1550059, 1550060, 1550061, 1550062, 1550063, 1550064 Original log message: Adding full bibliography for 1550055--1550064.cif.	1550057.cif
217633	2019-08-21	cif/1: Fixing Z values and formulae	1550057.cif
211539	2018-10-19	cif/ Adding structures of 1550055, 1550056, 1550057, 1550058, 1550059, 1550060, 1550061, 1550062, 1550063, 1550064 via cif-deposit CGI script.	1550057.cif