Dimeric copper(II) triphenylacetate adducts with 4-picoline
Yamanaka, M.; Ohba, S.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.; Acta Crystallographica Section C 49 (1993) 1469–1473; doi:10.1107/S010827019300126X

data_2001441
_publ_section_title
;
 Dimeric copper(II) triphenylacetate adducts with 4-picoline
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1469
_journal_page_last               1473
_journal_paper_doi               10.1107/S010827019300126X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C106 H90 Cu2 N2 O8'
_chemical_formula_weight         1647.0
_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_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                104.07(2)
_cell_angle_beta                 74.05(2)
_cell_angle_gamma                95.350(10)
_cell_formula_units_Z            2
_cell_length_a                   15.595(3)
_cell_length_b                   24.390(5)
_cell_length_c                   11.868(4)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    120
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     4208.4(19)
_diffrn_measurement_device       'Rigaku AFC-5'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15561
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        4
_diffrn_standards_interval_count 100
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    0.56
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.786
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.30
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.05
_refine_diff_density_min         -0.68
_refine_ls_goodness_of_fit_obs   2.20
_refine_ls_number_parameters     1063
_refine_ls_number_reflns         8774
_refine_ls_R_factor_obs          0.078
_refine_ls_shift/esd_max         0.35
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F)+(0.015F)^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.079
_reflns_number_observed          8774
_reflns_number_total             14719
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            as1031.cif
_cod_data_source_block           as1031_structure_1_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F)+(0.015F)^2^]^-1^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
[\s^2^(F)+(0.015F)^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4208(2)
_cod_database_code               2001441