Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides
Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.; Polym. Chem. 7 (2016) 2022–; doi:10.1039/C5PY02005K

data_1542284
_publ_section_title
;
 Controlling the stereoselectivity of rac-LA polymerization by chiral
 recognition induced the formation of homochiral dimeric metal alkoxides
;
_journal_issue                   11
_journal_name_full               'Polym. Chem.'
_journal_page_first              2022
_journal_paper_doi               10.1039/C5PY02005K
_journal_volume                  7
_journal_year                    2016
_chemical_formula_moiety         'C12 H26 In2 O6'
_chemical_formula_sum            'C12 H26 In2 O6'
_chemical_formula_weight         495.97
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Hygroscopic'
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
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Olex2 1.2-beta
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2015-11-25 deposited with the CCDC.
2016-01-13 downloaded from the CCDC.
;
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_cell_angle_beta                 91.014(2)
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_cell_formula_units_Z            2
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_cell_measurement_temperature    120.0(1)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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_diffrn_measured_fraction_theta_full 0.996
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;
  1 omega  -37.00   61.25   0.7500    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.2471   38.0000 -120.0000 131

  2 omega  -61.00   -1.00   0.7500    4.0000
omega____ theta____ kappa____ phi______ frames
    -       14.8721  -38.0000    0.0000 80

  3 omega  -86.00   14.50   0.7500    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.2471  -57.0000   90.0000 134

  4 omega  -91.00   13.25   0.7500    4.0000
omega____ theta____ kappa____ phi______ frames
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  5 omega  -90.00    6.00   0.7500    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.2471  -38.0000 -150.0000 128

  6 omega  -70.00    5.00   0.7500    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.2471  122.0000 -101.7475 100

  7 omega  -75.00   -0.75   0.7500    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.2471  130.0000   13.6193 99

  8 omega  -77.00   -5.00   0.7500    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.2471  133.0000  104.5096 96
;
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_orient_matrix_UB_23      0.0162222000
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_diffrn_orient_matrix_UB_33      0.0434505000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14092
_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.444
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.522
_exptl_absorpt_correction_T_max  0.610
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_description       rombohedral
_exptl_crystal_F_000             488
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: methylene chloride/hexane solution'
_exptl_crystal_size_max          0.4764
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_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.331
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     95
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.331
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0202
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0070P)^2^+1.5020P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0459
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_reflns_number_gt                1842
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_cod_data_source_block           RS-2
_cod_depositor_comments
'Adding full bibliography for 1542282--1542285.cif.'
_cod_original_cell_volume        920.56(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1542284
_shelx_shelxl_version_number     2014/7