Bis(2-methoxycarbonylethyl)bis(quinolin-8-olato-<i>N</i>,<i>O</i>)tin
Ng, S. W.; Kumar Das, V. G.; Acta Crystallographica Section C 51 (1995) 2492–2494; doi:10.1107/S0108270195007347

data_2004263
_publ_section_title
;
 Bis(2-methoxycarbonylethyl)bis(quinolin-8-olato-<i>N</i>,<i>O</i>)tin
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2492
_journal_page_last               2494
_journal_paper_doi               10.1107/S0108270195007347
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C26 H26 N2 O6 Sn'
_chemical_formula_sum            'C26 H26 N2 O6 Sn'
_chemical_formula_weight         581.18
_chemical_name_systematic
;
Bis(\b-carboxymethylethyl)bis(quinolin-8-olato)tin
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                97.511(6)
_cell_angle_beta                 112.647(7)
_cell_angle_gamma                102.092(5)
_cell_formula_units_Z            2
_cell_length_a                   10.6502(9)
_cell_length_b                   11.0148(4)
_cell_length_c                   12.0539(11)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.5
_cell_volume                     1240.56(18)
_computing_cell_refinement       'CAD-4 VAX/PC'
_computing_data_collection       'CAD-4 VAX/PC (Enraf-Nonius, 1988)'
_computing_data_reduction        'Xtal3.0 (Hall & Stewart, 1990)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w-2\q
_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  0.0142
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5963
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        1.4
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.074
_exptl_absorpt_correction_T_max  0.9998
_exptl_absorpt_correction_T_min  0.9068
_exptl_absorpt_correction_type   '\y scan'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_description       'irregular strip'
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.867
_refine_diff_density_min         -0.274
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.068
_refine_ls_goodness_of_fit_obs   1.089
_refine_ls_hydrogen_treatment
'H atoms were located and refined with U = 0.1\%A^2^'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5690
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_restrained_S_obs      1.089
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_obs          0.0310
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0464P)^2^ + 0.0051P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0784
_refine_ls_wR_factor_obs         0.0740
_reflns_number_observed          4918
_reflns_number_total             5690
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            jz1055.cif
_cod_data_source_block           ipt152
_cod_original_cell_volume        1240.6(2)
_cod_database_code               2004263