Bis(5-bromocytosinium) tetrachloropalladate(II)
Casellato, U.; Ettorre, R.; Graziani, R.; Acta Crystallographica Section C 49 (1993) 956–957; doi:10.1107/S0108270192011429

data_2001705
_publ_section_title
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 Bis(5-bromocytosinium) tetrachloropalladate(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              956
_journal_page_last               957
_journal_paper_doi               10.1107/S0108270192011429
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H10 Br2 Cl4 N6 O2 Pd'
_chemical_formula_weight         630.2
_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                109.05(4)
_cell_angle_beta                 71.05(4)
_cell_angle_gamma                109.03(5)
_cell_formula_units_Z            1
_cell_length_a                   9.146(4)
_cell_length_b                   8.650(4)
_cell_length_c                   6.622(3)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      6
_cell_volume                     453.9(4)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4279
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    5.987
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'brick red'
_exptl_crystal_density_diffrn    2.305
_exptl_crystal_description       plates
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.2
_refine_ls_goodness_of_fit_obs   0.777
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     121
_refine_ls_number_reflns         2435
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.031
_reflns_number_observed          2435
_reflns_number_total             4001
_reflns_observed_criterion       F>12\s(F)
_cod_data_source_file            na1012.cif
_cod_data_source_block           na1012_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_formula_sum        'C8 H10 Br2 Cl4 N6 O2 Pd1'
_cod_database_code               2001705