Synthesis and Structure of the Heterobimetallic Ladder Complex [{(MesNH)Sn(μ-Nma)}2(Li.2THF)2] (Mes = 2,4,6-Me3C6H2, ma = 2-MeOC6H4)
Robert E. Allan; Michael A. Beswick; Neil Feeder; Michael Kranz; Marta E. G. Mosquera; Paul R. Raithby; Andrew E. H. Wheatley; Dominic S. Wright; Inorganic Chemistry 37 (1998) 2602–2604; doi:10.1021/ic971093x

data_4322802
_publ_section_title
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 Synthesis and Structure of the Heterobimetallic Ladder Complex
 [{(MesNH)Sn(\m-Nma)}2(Li.2THF)2] (Mes = 2,4,6-Me3C6H2, ma = 2-MeOC6H4)
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2602
_journal_page_last               2604
_journal_paper_doi               10.1021/ic971093x
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C48 H70 Li2 N4 O6 Sn2'
_chemical_formula_weight         1050.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                104.45(4)
_cell_angle_beta                 99.70(5)
_cell_angle_gamma                102.01(5)
_cell_formula_units_Z            1
_cell_length_a                   11.080(7)
_cell_length_b                   11.720(7)
_cell_length_c                   10.561(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_volume                     1263.3(14)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measurement_device       AFC5R
_diffrn_measurement_method       'omega/2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0862
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6091
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0.4%
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.036
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.961
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.755
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
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_refine_ls_goodness_of_fit_obs   1.100
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         5794
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_restrained_S_obs      1.100
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_obs          0.0463
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_refine_ls_shift/esd_mean        0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0567P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1287
_refine_ls_wR_factor_obs         0.1143
_reflns_number_observed          4454
_reflns_number_total             5795
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic971093x.cif
_cod_data_source_block           dw970
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0567P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0567P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1263.3(13)
_cod_database_code               4322802