Stabilizing the [RSn(μ2-O)SnR] Motif through Intramolecular N→Sn Coordination. Synthesis and Characterization of [(RSn)2(μ2-O)(μ2-FcCOO)2(η-FcCOO)2]·THF and {(RSn)2(μ2-O)[(t-BuO)2PO2]2Cl2}·THF·2H2O (R = 2-(Phenylazo)phenyl)
Chandrasekhar, Vadapalli; Metre, Ramesh K.; Biswas, Sourav; Organometallics 32 (2013) 3419–; doi:10.1021/om400346b

data_4089522
_publ_section_title
;
 Stabilizing the [RSn(\m2-O)SnR] Motif through Intramolecular
 N\\rightarrow Sn Coordination. Synthesis and Characterization of
 [(RSn)2(\m2-O)(\m2-FcCOO)2(\h-FcCOO)2]&#x00B7;THF and
 {(RSn)2(\m2-O)[(t-BuO)2PO2]2Cl2}&#x00B7;THF&#x00B7;2H2O (R =
 2-(Phenylazo)phenyl)
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              3419
_journal_paper_doi               10.1021/om400346b
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C72 H62 Fe4 N4 O10 Sn2'
_chemical_formula_weight         1604.04
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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-97
_cell_angle_alpha                93.615(5)
_cell_angle_beta                 94.052(4)
_cell_angle_gamma                98.324(5)
_cell_formula_units_Z            2
_cell_length_a                   10.997(5)
_cell_length_b                   11.182(4)
_cell_length_c                   25.993(5)
_cell_measurement_reflns_used    2421
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.69
_cell_measurement_theta_min      2.34
_cell_volume                     3146.0(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_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  0.0459
_diffrn_reflns_av_sigmaI/netI    0.1083
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16957
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    1.745
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.689623
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1612
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.888
_refine_diff_density_min         -1.001
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         11471
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0761
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0826P)^2^+14.2046P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1791
_refine_ls_wR_factor_ref         0.2006
_reflns_number_gt                7879
_reflns_number_total             11471
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400346b_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3146(2)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4089522