Synthesis and Characterization of N-[2-P(i-Pr)2-4-methylphenyl]2- (PNP) Pincer Tin(IV) and Tin(II) Complexes
Jens Henning; Hartmut Schubert; Klaus Eichele; Florian Winter; Rainer Pöttgen; Hermann August Mayer; Lars Wesemann; Inorganic Chemistry 51 (2012) 5787–5794; doi:10.1021/ic300324s

data_4329213
_publ_contact_author             'Lars Wesemann'
_publ_contact_author_address
;
Institut fuer Anorganische Chemie
Universitaet Tuebingen
Auf der Morgenstelle 18
72076 Tuebingen
Germany
;
_publ_contact_author_email       lars.wesemann@uni-tuebingen.de
_publ_contact_author_fax         0049-7071-292436
_publ_contact_author_phone       0049-7071-2976227
_publ_section_title
;
 Synthesis and Characterization of N-[2-P(i-Pr)2-4-methylphenyl]2- (PNP)
 Pincer Tin(IV) and Tin(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5787
_journal_page_last               5794
_journal_paper_doi               10.1021/ic300324s
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C26 H40 Cl3 N P2 Sn'
_chemical_formula_sum            'C26 H40 Cl3 N P2 Sn'
_chemical_formula_weight         653.57
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 125.864(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4463(3)
_cell_length_b                   9.6919(2)
_cell_length_c                   15.9712(5)
_cell_measurement_reflns_used    45364
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      59.30
_cell_measurement_theta_min      6.08
_cell_volume                     1435.87(8)
_computing_cell_refinement       x-Area
_computing_data_collection       x-Area
_computing_data_reduction        x-Area
_computing_molecular_graphics    'ortep for windows'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS2'
_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  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26273
_diffrn_reflns_theta_full        29.21
_diffrn_reflns_theta_max         29.21
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    1.296
_exptl_absorpt_correction_T_max  0.8099
_exptl_absorpt_correction_T_min  0.6849
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'x-red, x-shape'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_description       block
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.467
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_reflns         3873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.224
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0240P)^2^+1.1410P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0638
_reflns_number_gt                3754
_reflns_number_total             3873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300324s_si_001_2.cif
_cod_data_source_block           compound2
_cod_original_cell_volume        1435.87(7)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4329213