Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(μ~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II): a prospective precursor for Cu-doped SnO~2~ films
Lieberman, Craig M.; Filatov, Alexander S.; Vreshch, Volodimir D.; Dikarev, Evgeny V.; Acta Crystallographica Section C 69 (2013) 1427–1430; doi:10.1107/S0108270113025717

data_2019285
_publ_section_title
;
 Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(\m~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II):
 a prospective precursor for Cu-doped SnO~2~ films
;
_journal_coeditor_code           FA3323
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1427
_journal_page_last               1430
_journal_paper_doi               10.1107/S0108270113025717
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu1 Sn8 (C5 H F6 O2)2 (C5 H2 F6 O4)4]'
_chemical_formula_moiety         'C10 H2 Cu F12 O4, 2(C10 H4 F12 O8 Sn4)'
_chemical_formula_sum            'C30 H10 Cu F36 O20 Sn8'
_chemical_formula_weight         2387.61
_chemical_name_systematic
Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(\m~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 113.331(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.716(4)
_cell_length_b                   12.535(3)
_cell_length_c                   15.232(4)
_cell_measurement_reflns_used    8340
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.53
_cell_measurement_theta_min      2.18
_cell_volume                     2930.7(13)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2003)'
_computing_publication_material  'SHELXTL (Bruker, 2003)'
_computing_structure_refinement  'SHELXTL (Bruker, 2003)'
_computing_structure_solution    'SHELXTL (Bruker, 2003)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '0.30\% \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22479
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.70
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    3.884
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.2988
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2003)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.706
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2206
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.942
_refine_ls_extinction_coef       0.00174(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXTL (Bruker, 2003)'
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         7021
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0340P)^2^+1.9804P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0711
_reflns_number_gt                6002
_reflns_number_total             7021
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fa3323.cif
_cod_data_source_block           I
_cod_original_cell_volume        2930.6(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2019285