Bis(ethanol)-1κ<i>O</i>,4κ<i>O</i>-hexakis(μ-propionato)-1κ<i>O</i>:2κ<i>O</i>';2κ^4^<i>O</i>:3κ^4^<i>O</i>';3κ<i>O</i>:4κ<i>O</i>'-tetrakis(triphenylphosphine)-1κ^2^<i>P</i>,4κ^2^<i>P</i>-tetracopper(I,II), [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~]
Dunaj-Jurčo, M.; Koman, M.; Valigura, D.; Ondrejovič, G.; Acta Crystallographica Section C 51 (1995) 1082–1084; doi:10.1107/S0108270194009935

data_2003580
_publ_section_title
;Bis(ethanol)-1\k<i>O</i>,4\k<i>O</i>-hexakis(\m-propionato)-1\k<i>O</i>:2\k<i>O</i>';2\k^4^<i>O</i>:3\k^4^<i>O</i>';3\k<i>O</i>:4\k<i>O</i>'-tetrakis(triphenylphosphine)-1\k^2^<i>P</i>,4\k^2^<i>P</i>-tetracopper(I,II),
 [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~]
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1082
_journal_page_last               1084
_journal_paper_doi               10.1107/S0108270194009935
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'crystallization from ethanol'
_chemical_formula_sum            'C94 H102 Cu4 O14 P4'
_chemical_formula_weight         1834.0
_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_type_scat_source           IntTabIV
_cell_angle_alpha                99.98(6)
_cell_angle_beta                 90.24(7)
_cell_angle_gamma                94.02(6)
_cell_formula_units_Z            1
_cell_length_a                   13.537(10)
_cell_length_b                   14.111(7)
_cell_length_c                   12.060(10)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    188
_cell_measurement_theta_max      14.55
_cell_measurement_theta_min      5.34
_cell_volume                     2263(3)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6442
_diffrn_reflns_theta_max         50
_diffrn_standards_decay_%        <15
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.23
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Blue green'
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_density_meas      1.36
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.58
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     497
_refine_ls_number_reflns         2530
_refine_ls_R_factor_obs          0.0697
_refine_ls_shift/esd_max         0.465
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 13.3124/[\s^2^(F~o~) + 0.000118(F~o~)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0734
_reflns_number_observed          2530
_reflns_number_total             6192
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            mu1081.cif
_cod_data_source_block           mu1081a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = 13.3124/[\s^2^(F~o~) +
0.000118(F~o~)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 13.3124/[\s^2^(F~o~) + 0.000118(F~o~)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2263.0(4)
_cod_database_code               2003580