Complexe entre un carboxylate de rhodium(II) et un dérivé de la pyrazine: synthèse et structure de tétrakis(μ-acétato)bis[2-(1-pyrrolyle)pyrazine]dirhodium(II)
Viossat, B.; Dung, Nguyen-Huy; Daran, J. C.; Lancelot, J. C.; Acta Crystallographica Section C 49 (1993) 2084–2086; doi:10.1107/S0108270193005049

data_2001142
_publ_section_title
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 Complexe entre un carboxylate de rhodium(II) et un d\'eriv\'e de la
 pyrazine: synth\`ese et structure de
 t\'etrakis(\m-ac\'etato)bis[2-(1-pyrrolyle)pyrazine]dirhodium(II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2084
_journal_page_last               2086
_journal_paper_doi               10.1107/S0108270193005049
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C24 H26 N6 O8 Rh2'
_chemical_formula_weight         732.32
_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                86.84(3)
_cell_angle_beta                 74.62(3)
_cell_angle_gamma                85.38(5)
_cell_formula_units_Z            1
_cell_length_a                   7.576(3)
_cell_length_b                   8.212(2)
_cell_length_c                   11.242(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      16
_cell_measurement_theta_min      15
_cell_volume                     671.8(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0,01
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2342
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.27
_exptl_absorpt_correction_type   Aucune
_exptl_crystal_colour            Brun-rouge
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_density_meas      1.79(3)
_exptl_crystal_description       Parall\'el\'epip\`ede
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.30
_refine_ls_extinction_method     Aucune
_refine_ls_goodness_of_fit_obs   2.1
_refine_ls_hydrogen_treatment    'Affinement (x, y, z) des atomes H'
_refine_ls_number_parameters     222
_refine_ls_number_reflns         2174
_refine_ls_R_factor_obs          0,022
_refine_ls_shift/esd_max         0.2
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0,025
_reflns_number_observed          2174
_reflns_number_total             2342
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1036.cif
_cod_data_source_block           du1036_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2001142