Unusual reactivity of a sterically hindered diphosphazane ligand, EtN{P(OR)(2)}(2), (R = C(6)H(3)(Pr(I))(2)-2,6) towards (eta(3)-allyl)palladium precursors.
Krishna, Heera; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam; Murugavel, Ramaswamy; Prabusankar, Ganesan; Dalton transactions (Cambridge, England : 2003)  (2007) 2908–2914; doi:10.1039/b703308g

data_7005578
_publ_section_title
;
 Unusual reactivity of a sterically hindered diphosphazane ligand,
 EtN{P(OR)(2)}(2), (R = C(6)H(3)(Pr(I))(2)-2,6) towards
 (eta(3)-allyl)palladium precursors.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2908
_journal_page_last               2914
_journal_paper_doi               10.1039/b703308g
_journal_year                    2007
_chemical_formula_moiety         'C115 H172 Cl10 N2 O10 P4 Pd8'
_chemical_formula_sum            'C115 H172 Cl10 N2 O10 P4 Pd8'
_chemical_formula_weight         3072.13
_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                78.172(4)
_cell_angle_beta                 81.154(4)
_cell_angle_gamma                80.768(4)
_cell_formula_units_Z            1
_cell_length_a                   13.714(3)
_cell_length_b                   15.294(3)
_cell_length_c                   16.424(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      1.9
_cell_volume                     3301.8(11)
_computing_cell_refinement       'Bruker Smart Apex CCD'
_computing_data_collection       'Bruker Smart Apex CCD'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    ortep-iii
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Shelxs-97
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       omega
_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  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38813
_diffrn_reflns_theta_full        28.02
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    1.366
_exptl_absorpt_correction_T_max  0.6848
_exptl_absorpt_correction_T_min  0.4946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombus
_exptl_crystal_F_000             1554
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.636
_refine_diff_density_min         -3.086
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     711
_refine_ls_number_reflns         15311
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0737
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1388P)^2^+16.2472P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2210
_refine_ls_wR_factor_ref         0.2411
_reflns_number_gt                11056
_reflns_number_total             15311
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703308g.txt
_cod_data_source_block           complex2_
_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_cell_volume        3301.8(12)
_cod_database_code               7005578