Dinuclear palladium(ii) complexes with bridging amidate ligands.
Adrian, Rafael A.; Zhu, Shourong; Powell, Douglas R.; Broker, Grant A.; Tiekink, Edward R. T.; Walmsley, Judith A.; Dalton transactions (Cambridge, England : 2003)  (2007) 4399–4404; doi:10.1039/B707878A

data_7005985
_publ_section_title
;
 Dinuclear palladium(ii) complexes with bridging amidate ligands.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4399
_journal_page_last               4404
_journal_paper_doi               10.1039/B707878A
_journal_year                    2007
_chemical_formula_moiety
;
(C24 H24 N6 O2 Pd2)2+, 2(N1 O3) 1-, (H2 O1),
0.5(C3 H6 O), 0.5 (C2 H3 N)
;
_chemical_formula_sum            'C26.5 H30.5 N8.5 O9.5 Pd2'
_chemical_formula_weight         832.89
_chemical_name_systematic
;
?
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                116.880(4)
_cell_angle_beta                 94.893(5)
_cell_angle_gamma                107.786(4)
_cell_formula_units_Z            2
_cell_length_a                   11.351(3)
_cell_length_b                   12.440(3)
_cell_length_c                   13.067(3)
_cell_measurement_reflns_used    1766
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      3.13
_cell_volume                     1511.9(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\w scan frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0179
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12903
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         31.51
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        -0.26
_diffrn_standards_number         212
_exptl_absorpt_coefficient_mu    1.259
_exptl_absorpt_correction_T_max  0.8844
_exptl_absorpt_correction_T_min  0.5891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, 2000'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             834
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.377
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         8852
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0574P)^2^+1.1756P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.0996
_reflns_number_gt                7778
_reflns_number_total             8852
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B707878A.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C26.50 H30.50 N8.50 O9.50 Pd2'
_cod_database_code               7005985