Crystallography Open Database

Information card for entry 4336416

Preview

Coordinates	4336416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H65 Ca N2 O4
Calculated formula	C60.5 H63.5 Ca N2 O4
Title of publication	Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide
Authors of publication	Wei Yi; Haiyan Ma
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11821 - 11835
a	13.118 ± 0.004 Å
b	13.922 ± 0.005 Å
c	17.106 ± 0.005 Å
α	112.018 ± 0.005°
β	96.288 ± 0.006°
γ	107.016 ± 0.005°
Cell volume	2683.4 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2089
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2405
Weighted residual factors for all reflections included in the refinement	0.2983
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336416.cif
102407	2014-02-20	cif/ Adding structures of 4336416 via cif-deposit CGI script.	4336416.cif