Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2
Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie; Organometallics 24 (2005) 5287–; doi:10.1021/om050401t

data_4075987
_publ_section_title
;
 Zwitterionic and Bis-amido Zinc Complexes with Bulky
 Bis(phosphanylamino)benzene Ligands:&#x00A0; Synthesis, Reactivity, and
 Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-\k2N,N&#x2018;)],
 [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-\k2N,N&#x2018;}], and
 [Zn{1-N(PMes2)-2-N(\m-PMes2)C6H4-\k3N,N&#x2018;,P}]2
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_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5287
_journal_paper_doi               10.1021/om050401t
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C92 H112 N4 O2 P4 Zn2'
_chemical_formula_weight         1560.48
_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                73.296(7)
_cell_angle_beta                 80.234(6)
_cell_angle_gamma                76.048(7)
_cell_formula_units_Z            2
_cell_length_a                   14.835(5)
_cell_length_b                   16.757(6)
_cell_length_c                   18.924(7)
_cell_measurement_reflns_used    902
_cell_measurement_temperature    217(2)
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      2.26
_cell_volume                     4347(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX  (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      217(2)
_diffrn_measured_fraction_theta_full 0.880
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_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  0.0670
_diffrn_reflns_av_sigmaI/netI    0.2113
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36611
_diffrn_reflns_theta_full        29.09
_diffrn_reflns_theta_max         29.09
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    0.673
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.904
_refine_diff_density_min         -0.550
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     911
_refine_ls_number_reflns         20523
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      0.890
_refine_ls_R_factor_all          0.1923
_refine_ls_R_factor_gt           0.0712
_refine_ls_shift/su_max          0.113
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s2^(Fo2^)+(0.1364P)2^+0.0000P] where P=(Fo2^+2Fc2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2137
_refine_ls_wR_factor_ref         0.2595
_reflns_number_gt                7885
_reflns_number_total             20523
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050401tsi20050523_015832.cif
_cod_data_source_block           c1013fin
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4075987