Reactions of Zn bis-ferrocenyl-β-diketiminates with [Ph(3)C][B(C(6)F(5))(4)].
Stanlake, Louisa J. E.; Stephan, Douglas W.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 5836–5840; doi:10.1039/c1dt10452g

data_7015954
_publ_section_title
;
 Reactions of Zn bis-ferrocenyl-\b-diketiminates with
 [Ph(3)C][B(C(6)F(5))(4)].
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5836
_journal_page_last               5840
_journal_paper_doi               10.1039/c1dt10452g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C69 H43 B F20 Fe2 N2 Zn'
_chemical_formula_weight         1467.93
_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                75.639(2)
_cell_angle_beta                 68.973(2)
_cell_angle_gamma                68.653(2)
_cell_formula_units_Z            2
_cell_length_a                   12.8817(6)
_cell_length_b                   15.2658(7)
_cell_length_c                   17.4986(8)
_cell_measurement_temperature    150(2)
_cell_volume                     2964.2(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            79163
_diffrn_reflns_theta_full        32.39
_diffrn_reflns_theta_max         32.39
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.994
_exptl_absorpt_correction_T_max  0.7892
_exptl_absorpt_correction_T_min  0.7547
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1476
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.587
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     901
_refine_ls_number_reflns         21171
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0386
_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^)+(0.0555P)^2^+0.9318P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1110
_reflns_number_gt                15941
_reflns_number_total             21171
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10452g.txt
_cod_data_source_block           ls010_0m
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015954