Crystal structure of bis(m3-oxo)-bis[μ2-2-(2-formylphenoxy)acetato-O,O']-bis[m2-2-(2-formylphenoxy)- acetato-O,O']-octakis(n-butyl)tetratin(IV), Sn4O2(C9H7O4)4(C4H9)8
Rui-Fang Ding; Qi-Bao Wang; Xin-Min Wen; Zeitschrift für Kristallographie - New Crystal Structures 226 (2011) 31–; doi:

data_8103107
_publ_section_title
;
 Crystal structure of
 bis(m3-oxo)-bis[\m2-2-(2-formylphenoxy)acetato-O,O']-bis[m2-2-(2-formylphenoxy)-
 acetato-O,O']-octakis(n-butyl)tetratin(IV), Sn4O2(C9H7O4)4(C4H9)8
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              31
_journal_volume                  226
_journal_year                    2011
_chemical_formula_sum            'C34 H50 O9 Sn2'
_chemical_formula_weight         840.12
_chemical_name_systematic
;
Bis(\m~3~-Oxo)-Bis[\m~2~-2-(2-Formylphenoxy)acetato-O,O']
-Bis[\m~2~-2-(2-Formylphenoxy)acetato-O,O']-Octakis(n-Butyl)-tetra-Tin(IV)
;
_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-97
_audit_update_record
;
2010-11-26 # Formatted by publCIF
;
_cell_angle_alpha                100.443(10)
_cell_angle_beta                 105.201(10)
_cell_angle_gamma                98.874(10)
_cell_formula_units_Z            2
_cell_length_a                   11.680(7)
_cell_length_b                   12.749(8)
_cell_length_c                   13.991(9)
_cell_measurement_reflns_used    3098
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.09
_cell_measurement_theta_min      2.21
_cell_volume                     1932(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9748
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.339
_exptl_absorpt_correction_T_max  0.8244
_exptl_absorpt_correction_T_min  0.7307
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadbs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.663
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         6687
_refine_ls_number_restraints     137
_refine_ls_restrained_S_all      1.203
_refine_ls_R_factor_all          0.0904
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.555
_refine_ls_shift/su_mean         0.019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.8609P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1814
_refine_ls_wR_factor_ref         0.2001
_reflns_number_gt                4634
_reflns_number_total             6687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-3306.cff
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8103107