Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2
Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright; Inorganic Chemistry 40 (2001) 4384–4388; doi:10.1021/ic0100368

data_4320053
_publ_section_title
;
 Synthesis and Structural Characterization of Tin(II) and Zinc(II)
 Derivatives of Cyclic \a-Hydroxyketones, Including the Structures of
 Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4384
_journal_page_last               4388
_journal_paper_doi               10.1021/ic0100368
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C14 H10 O4 Sn'
_chemical_formula_weight         360.91
_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-97
_cell_angle_alpha                78.140(6)
_cell_angle_beta                 84.493(6)
_cell_angle_gamma                74.096(5)
_cell_formula_units_Z            2
_cell_length_a                   7.4934(7)
_cell_length_b                   7.5027(10)
_cell_length_c                   12.026(2)
_cell_measurement_temperature    120(2)
_cell_volume                     635.78(15)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'XSeed (Barbour, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '2o phi + omega frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0989
_diffrn_reflns_av_sigmaI/netI    0.1027
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3801
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.83
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.016
_exptl_absorpt_correction_T_max  0.8239
_exptl_absorpt_correction_T_min  0.2955
_exptl_absorpt_correction_type   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.885
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             352
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.926
_refine_diff_density_min         -3.096
_refine_diff_density_rms         0.374
_refine_ls_extinction_coef       0.055(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2192
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.1044
_refine_ls_R_factor_gt           0.0987
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1255P)^2^+18.9022P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2524
_refine_ls_wR_factor_ref         0.2550
_reflns_number_gt                2080
_reflns_number_total             2192
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0100368_4.cif
_cod_data_source_block           molloy_compound7
_cod_original_cell_volume        635.80(15)
_cod_database_code               4320053