Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes
Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng; RSC Advances 2 (2012) 6599–; doi:10.1039/c2ra20709e

data_7238675
_publ_section_title
;
 Synthesis and structural study of an unsymmetrical aliphatic
 benzamidinato ligand and its use in the formation of selected Cu(i),
 Mg(ii) and Zr(iv) complexes
;
_journal_issue                   16
_journal_name_full               'RSC Advances'
_journal_page_first              6599
_journal_paper_doi               10.1039/c2ra20709e
_journal_volume                  2
_journal_year                    2012
_chemical_formula_sum            'C36 H60 Mg N4 O Si2'
_chemical_formula_weight         645.37
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.237(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.456(17)
_cell_length_b                   9.444(8)
_cell_length_c                   21.882(20)
_cell_measurement_reflns_used    1198
_cell_measurement_temperature    238(2)
_cell_measurement_theta_max      19.791
_cell_measurement_theta_min      2.4055
_cell_volume                     4014(6)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      238(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'ccd area scan'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_av_sigmaI/netI    0.0869
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            10747
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    0.134
_exptl_absorpt_correction_T_max  0.9736
_exptl_absorpt_correction_T_min  0.9608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.268
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.929
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         3562
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1189
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0867P)^2^+5.1132P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1447
_refine_ls_wR_factor_ref         0.1825
_reflns_number_gt                2039
_reflns_number_total             3562
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ra20709e.txt
_cod_data_source_block           s545b
_cod_original_cell_volume        4015(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7238675