Solvent Dependence of the Structure of Ethylzinc Acetate and Its Application in CO2/Epoxide Copolymerization
Orchard, Katherine L.; Harris, Jonathan E.; White, Andrew J. P.; Shaffer, Milo S. P.; Williams, Charlotte K.; Organometallics 30 (2011) 2223–; doi:10.1021/om200004a

data_4064265
_publ_section_title
;
 Solvent Dependence of the Structure of Ethylzinc Acetate and Its
 Application in CO2/Epoxide Copolymerization
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2223
_journal_paper_doi               10.1021/om200004a
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C8 H16 O4 Zn2'
_chemical_formula_sum            'C8 H16 O4 Zn2'
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; 
 ? 
;
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_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_measurement_device_type  'OD Xcalibur PX Ultra'
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; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) 
(compiled Apr 28 2010,14:27:37) 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.777
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'Flack H D (1983), Acta Cryst. A39, 876-881, 444 Friedel pairs'
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_refine_ls_extinction_coef       0.0007(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0497P)^2^+5.1670P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0940
_refine_ls_wR_factor_ref         0.1342
_reflns_number_gt                1232
_reflns_number_total             1596
_reflns_threshold_expression     >2sigma(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      Pca2(1)
_cod_database_code               4064265