Crystallography Open Database

Information card for entry 1520955

1520954 << 1520955 >> 1520956

Preview

Coordinates	1520955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H103.5 In2 N8.5 O6
Calculated formula	C73.016 H103.524 In2 N8.508 O6
Title of publication	Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization
Authors of publication	Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	9
Pages of publication	5284
a	15.0752 ± 0.0009 Å
b	22.4148 ± 0.0014 Å
c	23.2893 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	7869.6 ± 0.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1520955.cif
171002	2015-12-09	cif/ Updating files of 1520954, 1520955, 1520956, 1520957, 1520958 Original log message: Adding full bibliography for 1520954--1520958.cif.	1520955.cif
140548	2015-07-07	cif/ Adding structures of 1520954, 1520955, 1520956, 1520957, 1520958 via cif-deposit CGI script.	1520955.cif