Dinuclear magnesium, zinc and aluminum complexes supported by bis(iminopyrrolide) ligands: synthesis, structures, and catalysis toward the ring-opening polymerization of ε-caprolactone and rac-lactide.
Kong, Wei-Li; Wang, Zhong-Xia; Dalton transactions (Cambridge, England : 2003) 43 (2014) 9126–9135; doi:10.1039/c4dt00431k

data_7030836
_publ_section_title
;
 Dinuclear magnesium, zinc and aluminum complexes supported by
 bis(iminopyrrolide) ligands: synthesis, structures, and catalysis toward
 the ring-opening polymerization of \e-caprolactone and rac-lactide.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9126
_journal_page_last               9135
_journal_paper_doi               10.1039/c4dt00431k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C36 H47 Mg2 N5 O2'
_chemical_formula_weight         630.41
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_cell_angle_beta                 93.8190(10)
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_cell_length_b                   21.4306(2)
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_cell_volume                     10539.00(17)
_computing_cell_refinement       'CrysAlisPro (Oxford Diffraction Ltd.)'
_computing_data_collection       'CrysAlisPro (Oxford Diffraction Ltd.)'
_computing_data_reduction        'CrysAlisPro (Oxford Diffraction Ltd.)'
_computing_molecular_graphics    'Ortep-3 (L. J. Farrugia, 2001)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9149
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Gemini S Ultra, Oxford Diffraction'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0332
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_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -21
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_diffrn_reflns_limit_k_min       -24
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_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34830
_diffrn_reflns_theta_full        62.78
_diffrn_reflns_theta_max         62.78
_diffrn_reflns_theta_min         3.40
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.7727
_exptl_absorpt_correction_T_min  0.7362
_exptl_absorpt_correction_type   multi-scan
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4056
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.30
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_refine_diff_density_min         -0.762
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8405
_refine_ls_number_restraints     45
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0553
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0826P)^2^+17.0501P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1489
_refine_ls_wR_factor_ref         0.1611
_reflns_number_gt                6852
_reflns_number_total             8405
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00431k1.cif
_cod_data_source_block           120412-lt
_cod_depositor_comments
'Adding full bibliography for 7030836--7030838.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7030836