Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine
Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.; Acta Crystallographica Section C 49 (1993) 2095–2100; doi:10.1107/S0108270193005359

data_2001148
_publ_section_title
;
 Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or
 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with
 2,6-lutidine
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2095
_journal_page_last               2100
_journal_paper_doi               10.1107/S0108270193005359
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C27 H31 Cu1 N1 O4),C6 H6'
_chemical_formula_sum            'C60 H68 Cu2 N2 O8'
_chemical_formula_weight         1072.30
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.760(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.0330(10)
_cell_length_b                   22.608(3)
_cell_length_c                   16.7030(10)
_cell_measurement_reflns_used    39
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     4921.1(8)
_diffrn_measurement_device       'Rigaku AFC-5 four-circle'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11523
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0.968-1.128
_diffrn_standards_interval_count 100
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.92
_exptl_absorpt_correction_T_max  0.715
_exptl_absorpt_correction_T_min  0.713
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_density_meas      1.35(2)
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.57
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     300
_refine_ls_number_reflns         3395
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.25
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(|F~o~|) + (0.015|F~o~|)^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.041
_reflns_number_observed          3395
_reflns_number_total             5650
_reflns_observed_criterion       |F~o~|>3\s(|F~o~|)
_cod_data_source_file            as1036.cif
_cod_data_source_block           as1036_structure_2_of_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = [\s^2^(|F~o~|) +
(0.015|F~o~|)^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~o~|) + (0.015|F~o~|)^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4920.9(8)
_cod_original_sg_symbol_Hall     '-C 2yc'
_cod_original_sg_symbol_H-M      'C 1 2/c 1'
_cod_database_code               2001148