New homoleptic bis(pyrrolylpyridiylimino) Mg(II) and Zn(II) complexes as catalysts for the ring opening polymerization of cyclic esters via an "activated monomer" mechanism.
D'Auria, Ilaria; Tedesco, Consiglia; MAZZEO, Mina; Pellecchia, Claudio; Dalton Trans.  (2017) –; doi:10.1039/C7DT02445B

data_7043992
_publ_section_title
;
 New homoleptic bis(pyrrolylpyridiylimino) Mg(II) and Zn(II) complexes as
 catalysts for the ring opening polymerization of cyclic esters via an
 "activated monomer" mechanism.
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02445B
_journal_year                    2017
_chemical_formula_sum            'C95 H104 N12 Zn2'
_chemical_formula_weight         1544.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-06-08 deposited with the CCDC.
2017-08-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.445(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.124(3)
_cell_length_b                   19.606(3)
_cell_length_c                   21.718(3)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6902
_cell_measurement_theta_min      1.4521
_cell_volume                     8543(2)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
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_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
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_computing_structure_solution    'SIR2011 (Burla, 2012)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.827
_diffrn_measurement_device_type  'AFC7S Rigaku'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1186
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_diffrn_reflns_Laue_measured_fraction_full 0.960
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_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33685
_diffrn_reflns_point_group_measured_fraction_full 0.960
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_exptl_absorpt_coefficient_mu    0.614
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'Re-crystallisation from solvent: toluene'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1559P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           zn11
_cod_database_code               7043992
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