Trichlorotin(II)‒(<i>meso</i>-Tetraphenylporphyrinato)rhodium(III), a Porphyrin Derivative with an Rh—Sn Bond
Licoccia, S.; Paolesse, R.; Boschi, T.; Bandoli, G.; Dolmella, A.; Acta Crystallographica Section C 51 (1995) 833–835; doi:10.1107/S0108270194012424

data_2003488
_publ_section_title
;
 Trichlorotin(II)--(<i>meso</i>-Tetraphenylporphyrinato)rhodium(III), a
 Porphyrin Derivative with an Rh---Sn Bond
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              833
_journal_page_last               835
_journal_paper_doi               10.1107/S0108270194012424
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C44 H28 Cl3 N4 Rh1 Sn1'
_chemical_formula_sum            'C44 H28 Cl3 N4 Rh Sn'
_chemical_formula_weight         940.7
_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                68.20(2)
_cell_angle_beta                 68.23(2)
_cell_angle_gamma                64.08(2)
_cell_formula_units_Z            2
_cell_length_a                   12.719(2)
_cell_length_b                   12.906(2)
_cell_length_c                   16.930(3)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    294
_cell_measurement_theta_max      13
_cell_measurement_theta_min      8
_cell_volume                     2247.2(8)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8311
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.13
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_description       parallelepiped
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.37
_refine_diff_density_min         -1.08
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.72
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     479
_refine_ls_number_reflns         4754
_refine_ls_R_factor_obs          0.057
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0016F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.080
_reflns_number_observed          4754
_reflns_number_total             7926
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            na1113.cif
_cod_data_source_block           na1113a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0016F^2^]'
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) +
0.0016F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2247.5(7)
_cod_original_formula_sum        'C44 H28 Cl3 N4 Rh1 Sn1'
_cod_database_code               2003488