Architectural formation of a conjugated bimetallic Pd(II) complex via oxidative complexation and a tetracyclic Pd(II) complex via self-assembling complexation
Moriuchi, Toshiyuki; Kamikawa, Masayuki; Bandoh, Seiji; Hirao, Toshikazu; Chemical Communications (Cambridge, United Kingdom)  (2002) 1476–1477; doi:10.1039/b203726m

data_7114453
_publ_section_title
;
 Architectural formation of a conjugated bimetallic Pd(II) complex via
 oxidative complexation and a tetracyclic Pd(II) complex via
 self-assembling complexation
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   14
_journal_name_full
'Chemical Communications (Cambridge, United Kingdom)'
_journal_page_first              1476
_journal_page_last               1477
_journal_paper_doi               10.1039/b203726m
_journal_year                    2002
_chemical_formula_sum            'C56 H54 N10 O4 Pd2'
_chemical_formula_weight         1143.91
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.41(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.959(2)
_cell_length_b                   9.828(3)
_cell_length_c                   19.603(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      13.8
_cell_measurement_theta_min      13.4
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_computing_cell_refinement       'MSC/AFC Diffractometer Control'
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_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
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_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6459
_diffrn_standards_decay_%        0.37
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.907
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1168.0
_exptl_crystal_size_max          0.900
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.42
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.187
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         2792
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.0180
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
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_reflns_number_gt                2792
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b203726m.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
data name '_geom_hbond_site_distance_dh' replaced with
'_geom_hbond_distance_DH' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_hbond_site_distance_ha' replaced with
'_geom_hbond_distance_HA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_hbond_site_distance_da' replaced with
'_geom_hbond_distance_DA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 
;
_cod_original_cell_volume        2688.6(8)
_cod_original_formula_sum        'C56 H54 N10 O4 Pd2 '
_cod_database_code               7114453