Crystalline magnesium chloride-electron donor complexes: new support materials for Ziegler-Natta catalysts.
Nissinen, V. H.; Koshevoy, I. O.; Pakkanen, T. T.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 4452–4460; doi:10.1039/c7dt00193b

data_7042435
_publ_section_title
;
 Crystalline magnesium chloride-electron donor complexes: new support
 materials for Ziegler-Natta catalysts.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4452
_journal_page_last               4460
_journal_paper_doi               10.1039/c7dt00193b
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C12 H32 Cl2 Mg N4'
_chemical_formula_sum            'C12 H32 Cl2 Mg N4'
_chemical_formula_weight         327.62
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-15 deposited with the CCDC.
2017-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                84.028(2)
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_cell_angle_gamma                84.4590(10)
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_cell_measurement_temperature    150(2)
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_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
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_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device       '62mm x 62mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0144
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_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.922
_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11005
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_description       block
_exptl_crystal_F_000             178
_exptl_crystal_size_max          0.803
_exptl_crystal_size_mid          0.612
_exptl_crystal_size_min          0.536
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.161
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3531
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0307P)^2^+0.0603P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
_refine_ls_wR_factor_ref         0.0603
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3252
_reflns_number_total             3531
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt00193b2.cif
_cod_data_source_block           deeda
_cod_depositor_comments
'Adding full bibliography for 7042435--7042437.cif.'
_cod_database_code               7042435
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.737
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_shelx_res_checksum              78332