Enantioselective Synthesis of Optically Active Polymeric Homo- and Bimetallic Oxalate-Bridged Networks [M2(ox)3]n
Román Andrés; Michel Gruselle; Bernard Malézieux; Michel Verdaguer; Jacqueline Vaissermann; Inorganic Chemistry 38 (1999) 4637–4646; doi:10.1021/ic9904135

data_4322311
_publ_contact_author
;
 Dr. Andres Roman,  
;
_publ_contact_author_email       ' gruselle@ccr.jussieu.fr '
_publ_contact_author_fax         ' 33 1 44 27 38 41 '
_publ_contact_author_phone       ' 33 1 44 27 30 83 '
_publ_section_title
;
 Enantioselective Synthesis of Optically Active Polymeric Homo- and
 Bimetallic Oxalate-Bridged Networks [M2(ox)3]n
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4637
_journal_page_last               4646
_journal_paper_doi               10.1021/ic9904135
_journal_volume                  38
_journal_year                    1999
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C30 H24 Ni1 2+, C6 O12 Cr1 Li1 2-, H2 O1 '
_chemical_formula_sum            'C36 H26 Cr Li N6 Ni O13'
_chemical_formula_weight         868.14
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.380(5)
_cell_length_b                   15.380(5)
_cell_length_c                   15.380(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      12
_cell_volume                     3638(2)
_diffrn_ambient_temperature      295
_diffrn_measurement_device       '  Enraf-nonius CAD4 '
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_monochromator  ' graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.05
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7194
_diffrn_standards_interval_time  3600s
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.88
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' black '
_exptl_crystal_density_diffrn    1.58
_exptl_crystal_description       ' tetrahedron '
_exptl_crystal_F_000             1766.72
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.60
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   0.9549
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     84
_refine_ls_number_reflns         844
_refine_ls_R_factor_obs          0.0476
_refine_ls_shift/esd_max         0.101998
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0578
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              12
_reflns_limit_k_min              0
_reflns_limit_l_max              18
_reflns_limit_l_min              1
_reflns_number_observed          844
_reflns_number_total             2145
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            ic9904135_3.cif
_cod_data_source_block           C36H26Ni1Cr1Li1O13N6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct_Methods' was changed to
'direct'.

'_atom_sites_solution_hydrogens' value ' Geometric' was changed to
'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21 3 '
_cod_original_formula_sum        ' C36 H26 Ni1 Cr1 Li1 O13 N6 '
_cod_database_code               4322311