Reactivity of a cationic square-planar palladium(II) chloro complex containing bis[2-(diphenylphosphino)ethyl]amine: chloro substitutions by anionic ligands and formation of neutral digold(I) compounds possessing linear PAuX fragments. The X-Ray crystal structure of Au2[Ph2P(CH2)2N(NO)(CH2)2PPh2]Cl2
Inés García-Seijo, M.; Habtemariam, Abraha; Parsons, Simon; Gould, R. O.; Esther García-Fernández, M.; New Journal of Chemistry 26 (2002) 636–; doi:10.1039/b109675n

data_7050773
_publ_section_title
;
 Reactivity of a cationic square-planar palladium(II) chloro complex
 containing bis[2-(diphenylphosphino)ethyl]amine: chloro substitutions
 by anionic ligands and formation of neutral digold(I) compounds
 possessing linear PAuX fragments. The X-Ray crystal structure of
 Au2[Ph2P(CH2)2N(NO)(CH2)2PPh2]Cl2
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              636
_journal_paper_doi               10.1039/b109675n
_journal_volume                  26
_journal_year                    2002
_chemical_formula_moiety         '[Pd(NO3)(PNHP)]NO3.H2O.MeOH'
_chemical_formula_sum            'C29 H35 N3 O8 P2 Pd'
_chemical_formula_weight         721.94
_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   'geometric, not placed on H2O'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                76.89(3)
_cell_angle_beta                 82.59(4)
_cell_angle_gamma                89.47(4)
_cell_formula_units_Z            2
_cell_length_a                   8.044(5)
_cell_length_b                   12.719(5)
_cell_length_c                   15.492(7)
_cell_measurement_reflns_used    45
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      22
_cell_measurement_theta_min      20
_cell_volume                     1530.5(13)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4'
_computing_data_reduction        'Stoe REDU4'
_computing_molecular_graphics    SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.863
_diffrn_measured_fraction_theta_max 0.863
_diffrn_measurement_method       omega-theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6923
_diffrn_reflns_theta_full        70.25
_diffrn_reflns_theta_max         70.25
_diffrn_reflns_theta_min         2.95
_diffrn_standards_decay_%        -2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.343
_exptl_absorpt_correction_T_max  0.407
_exptl_absorpt_correction_T_min  0.095
_exptl_absorpt_correction_type   'Optimised numerical'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.865
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5034
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0733
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1262P)^2^+4.9975P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1990
_refine_ls_wR_factor_ref         0.2161
_reflns_number_gt                3999
_reflns_number_total             5034
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b109675n.txt
_cod_data_source_block           pdpni3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

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_cell_volume        1530.6(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7050773