Coinage metal complexes of tris(pyrazolyl)methanide [C(3,5-Me2pz)3]-: kappa3-coordination vs. backbone functionalisation.
Krummenacher, Ivo; Rüegger, Heinz; Breher, Frank; Dalton transactions (Cambridge, England : 2003)  (2006) 1073–1081; doi:10.1039/b512309g

data_7006623
_publ_section_title
;
 Coinage metal complexes of tris(pyrazolyl)methanide [C(3,5-Me2pz)3]-:
 kappa3-coordination vs. backbone functionalisation.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1073
_journal_page_last               1081
_journal_paper_doi               10.1039/b512309g
_journal_year                    2006
_chemical_formula_moiety         'C19 H30 Cu N6 O3 P'
_chemical_formula_sum            'C19 H30 Cu N6 O3 P'
_chemical_formula_weight         485.00
_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
_cell_angle_alpha                96.346(5)
_cell_angle_beta                 104.986(5)
_cell_angle_gamma                112.169(5)
_cell_formula_units_Z            2
_cell_length_a                   10.392(2)
_cell_length_b                   11.069(3)
_cell_length_c                   11.705(3)
_cell_measurement_temperature    250(2)
_cell_volume                     1171.4(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep32 for Windows'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      250(2)
_diffrn_measured_fraction_theta_full 0.886
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_device_type  'Bruker Apex with CCD'
_diffrn_measurement_method       'phi and 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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9733
_diffrn_reflns_theta_full        30.91
_diffrn_reflns_theta_max         30.91
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    1.032
_exptl_absorpt_correction_T_max  0.8281
_exptl_absorpt_correction_T_min  0.5238
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombus
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.72
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         6546
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0593
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0977P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1547
_refine_ls_wR_factor_ref         0.1694
_reflns_number_gt                4829
_reflns_number_total             6546
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512309g.txt
_cod_data_source_block           C(Mepz)3CuP(OMe)3
_cod_original_cell_volume        1171.4(4)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006623