Crystallography Open Database

Information card for entry 4118422

Preview

Coordinates	4118422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H84 Cl8 I2 In2 N4 O4
Calculated formula	C48 H84 Cl8 I2 In2 N4 O4
Title of publication	Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity
Authors of publication	Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12758 - 12773
a	9.328 ± 0.0006 Å
b	11.9779 ± 0.0009 Å
c	14.8126 ± 0.0009 Å
α	81.227 ± 0.004°
β	84.778 ± 0.004°
γ	69.172 ± 0.004°
Cell volume	1527.55 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178955 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/84.	4118422.cif
75959	2013-03-14	cif/ Adding structures of 4118422 via cif-deposit CGI script.	4118422.cif