(<i>Z</i>)-Bis{μ-[1-(2-naphthylmethyloxy)propan-2-iminato-<i>O</i>,<i>N</i>:<i>N</i>]}bis[bromobis(tetrahydrofuran-<i>O</i>)magnesium] ditoluene solvate
Charette, André B.; Gagnon, Alexandre; Bélanger-Gariépy, Francine; Acta Crystallographica Section C 56 (2000) 538–540; doi:10.1107/S0108270100001281

data_2010909
_publ_section_title
;(<i>Z</i>)-Bis{\m-[1-(2-naphthylmethyloxy)propan-2-iminato-<i>O</i>,<i>N</i>:<i>N</i>]}bis[bromobis(tetrahydrofuran-<i>O</i>)magnesium]
 ditoluene solvate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              538
_journal_page_last               540
_journal_paper_doi               10.1107/S0108270100001281
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac
'[Mg2 (C14 H14 NO)2 (C4 H8 O)4  Br2 ] , 2C7 H8 '
_chemical_formula_moiety         'C44 H60 Br2 Mg2 N2 O6 , 2C7 H8 '
_chemical_formula_sum            'C58 H76 Br2 Mg2 N2 O6'
_chemical_formula_weight         1105.6
_chemical_name_systematic
;
(Z)-N-(Bromomagnesio)-1-(2-naphthylmethoxy)propan-2-imine
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           'SHELXL96 (Sheldrick, 1996)'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.32(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.12(2)
_cell_length_b                   12.566(9)
_cell_length_c                   19.142(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      22.00
_cell_measurement_theta_min      20.00
_cell_volume                     5552(7)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'NRC-2, NRC-2A (Ahmed et al., 1973)'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) in NRCVAX (Gabe et al., 1989)'
_computing_publication_material
'NRCVAX (Gabe et al., 1989) and SHELXL96 (Sheldrick, 1996)'
_computing_structure_refinement
'NRCVAX (Gabe et al., 1989) and SHELXL96 (Sheldrick, 1996)'
_computing_structure_solution    'SHELXS96 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measurement_device_type  'Nonius CAD-4 with gas-stream cryostat'
_diffrn_measurement_method       '\w/2\q scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus xray tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_av_R_equivalents  .096
_diffrn_reflns_av_sigmaI/netI    .1107
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15403
_diffrn_reflns_theta_max         69.85
_diffrn_reflns_theta_min         3.83
_diffrn_standards_decay_%        20.3
_diffrn_standards_interval_time  60
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    2.468
_exptl_absorpt_correction_T_max  .7705
_exptl_absorpt_correction_T_min  .5940
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'ABSORP in NRCVAX (Gabe et al., 1989)'
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.3228
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             2320.0
_exptl_crystal_size_max          .27
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .14
_refine_diff_density_max         .719
_refine_diff_density_min         -.273
_refine_ls_extinction_coef       .000029(8)
_refine_ls_extinction_method     'SHELXL96 (Sheldrick, 1996)'
_refine_ls_goodness_of_fit_all   .777
_refine_ls_goodness_of_fit_ref   .981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         5238
_refine_ls_number_restraints     297
_refine_ls_restrained_S_all      .757
_refine_ls_restrained_S_obs      .931
_refine_ls_R_factor_all          .1056
_refine_ls_R_factor_gt           .0430
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0212P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .0891
_refine_ls_wR_factor_ref         .0765
_reflns_number_gt                2611
_reflns_number_total             5238
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fr1246.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2010909
_cod_database_fobs_code          2010909