Synthesis of cyclic polyesters: effects of alkoxy side chains in salicylaldiminato tin(ii) complexes.
Wongmahasirikun, Phonpimon; Prom-On, Paweenuch; Sangtrirutnugul, Preeyanuch; Kongsaeree, Palangpon; Phomphrai, Khamphee; Dalton transactions (Cambridge, England : 2003) 44 (2015) 12357–12364; doi:10.1039/c5dt00139k

data_7034218
_publ_section_title
;
 Synthesis of cyclic polyesters: effects of alkoxy side chains in
 salicylaldiminato tin(ii) complexes.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12357
_journal_page_last               12364
_journal_paper_doi               10.1039/c5dt00139k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C34 H50 N2 O4 Sn2, C7, C7 H8'
_chemical_formula_sum            'C48 H58 N2 O4 Sn2'
_chemical_formula_weight         964.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2012-09-29 deposited with the CCDC.
2015-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 105.4660(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3700(4)
_cell_length_b                   20.6235(5)
_cell_length_c                   14.2795(2)
_cell_measurement_reflns_used    24376
_cell_measurement_temperature    298
_cell_measurement_theta_max      28.700
_cell_measurement_theta_min      0.998
_cell_volume                     4646.29(17)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'SIR97(Cascarano al.,Acta Cryst.,1996,A52,C-79)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.0613
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29782
_diffrn_reflns_theta_full        28.72
_diffrn_reflns_theta_max         28.72
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    1.117
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.107
_refine_diff_density_min         -1.027
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       0.0047(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         11953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0515P)^2^+1.7379P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0977
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                9274
_reflns_number_total             11953
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00139k2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7034218--7034219.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7034218