Synthesis of [{2,6-(Me2NCH2)2C6H3}Sn(OH)O]6: an N→Sn Coordinated Stannonic Acid
Bouška, Marek; Dostál, Libor; Jirásko, Robert; Růžička, Aleš; Jambor, Roman; Organometallics 28 (2009) 4258–; doi:10.1021/om9002889

data_4069579
_publ_section_title
;
 Synthesis of [{2,6-(Me2NCH2)2C6H3}Sn(OH)O]6: an N\\rightarrow Sn
 Coordinated Stannonic Acid
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4258
_journal_paper_doi               10.1021/om9002889
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C72 H122 F2.4 K0.8 N12 Na0.8 O13 Sn6'
_chemical_formula_weight         2171.23
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_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                 115.92
_cell_angle_gamma                90.00
_cell_formula_units_Z            5
_cell_length_a                   26.862
_cell_length_b                   16.056
_cell_length_c                   25.776
_cell_measurement_temperature    293(2)
_cell_volume                     9998.772
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            59860
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    1.964
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5438
_refine_diff_density_max         1.971
_refine_diff_density_min         -0.850
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.366
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         11301
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.366
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.491
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1754
_refine_ls_wR_factor_ref         0.1922
_reflns_number_gt                8509
_reflns_number_total             11301
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om9002889_si_002.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        9998.9
_cod_original_formula_sum        'C72 H122 F2.40 K0.80 N12 Na0.80 O13 Sn6'
_cod_database_code               4069579