First helical zinc(II) complex with a salen ligand
Mizukami, Shin; Houjou, Hirohiko; Nagawa, Yoshinobu; Kanesato, Masatoshi; Chemical Communications (Cambridge, United Kingdom)  (2003) 1148–1149; doi:10.1039/b301099f

data_7113615
_publ_section_title
;
 First helical zinc(II) complex with a salen ligand
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   10
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1148
_journal_page_last               1149
_journal_paper_doi               10.1039/b301099f
_journal_year                    2003
_chemical_formula_moiety         'C24 H32 N2 O2 Zn '
_chemical_formula_sum            'C24 H32 N2 O2 Zn'
_chemical_formula_weight         445.91
_chemical_name_common
'A zinc complex of bis((3-t-butylsalicylidene)-methylamine)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.446(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.7768(5)
_cell_length_b                   12.8301(5)
_cell_length_c                   14.3708(6)
_cell_measurement_reflns_used    16158
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.2
_cell_volume                     2364.28(16)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    DirectMethod
_diffrn_measured_fraction_theta_full 0.9932
_diffrn_measured_fraction_theta_max 0.9932
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23471
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_preparation       acetonitrile
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.573
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3752
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.01000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                3473
_reflns_number_total             5383
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_duplicate_entry             7103642
_cod_data_source_file            b301099f.txt
_cod_data_source_block           2
_cod_original_cell_volume        2364.3(2)
_cod_original_formula_sum        'C24 H32 N2 O2 Zn '
_cod_database_code               7113615