N-Coordinated Tin(II) Trifluoromethanesulfonates and Their Reactions with Transition Metal Carbonyls.
Bouska, Marek; Dostál, Libor; Lutter, Michael; Glowacki, Britta; Ruzickova, Zdenka; Beck, Daniel; Jambor, Roman; Jurkschat, Klaus; Inorganic chemistry 54 (2015) 6792–6800; doi:10.1021/acs.inorgchem.5b00678

data_4343443
_publ_section_title
;
 N-Coordinated Tin(II) Trifluoromethanesulfonates and Their Reactions with
 Transition Metal Carbonyls.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6792
_journal_page_last               6800
_journal_paper_doi               10.1021/acs.inorgchem.5b00678
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety
'C33 H43 Cl1 N3 Sn1, C5 Cl3 O5 Sn1 W, 1.5(C7 H8)'
_chemical_formula_sum            'C48.5 H55 Cl4 N3 O5 Sn2 W'
_chemical_formula_weight         1322.98
_chemical_melting_point          467.6
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_cell_measurement_temperature    173(2)
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'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
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'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
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'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'XcaliburS CCD Diffractometer'
_diffrn_measurement_method       '\w und \y scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0441
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_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28488
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.177
_exptl_absorpt_coefficient_mu    3.134
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_exptl_absorpt_correction_T_min  0.77430
_exptl_absorpt_correction_type   multi-scan
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.220
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.809
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         10546
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_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0320P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0729
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8563
_reflns_number_total             10546
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b00678_si_002.cif
_cod_data_source_block           comp3
_cod_depositor_comments
'Adding full bibliography for 4343443--4343447.cif.'
_cod_original_formula_sum        'C48.50 H55 Cl4 N3 O5 Sn2 W'
_cod_database_code               4343443
_shelx_estimated_absorpt_t_min   0.360
_shelx_estimated_absorpt_t_max   0.573
_shelxl_version_number           2014/6
_shelx_res_checksum              35833
_shelx_hkl_checksum              75239