Diastereoselective Assembling of 21-C-Alkylated Nickel(II) Complexes of Inverted Porphyrin on a Platinum(II) Template
Piotr J. Chmielewski; Izabela Schmidt; Inorganic Chemistry 43 (2004) 1885–1894; doi:10.1021/ic035162l

data_4310726
_publ_section_title
;
 Diastereoselective Assembling of 21-C-Alkylated Nickel(II) Complexes of
 Inverted Porphyrin on a Platinum(II) Template
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1885
_journal_page_last               1894
_journal_paper_doi               10.1021/ic035162l
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C116 H89 Cl N8 Ni2 Pt'
_chemical_formula_weight         1942.91
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.255(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.8081(16)
_cell_length_b                   27.075(2)
_cell_length_c                   30.787(2)
_cell_measurement_temperature    100(2)
_cell_volume                     18505(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.924
_diffrn_measured_fraction_theta_max 0.924
_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  0.2393
_diffrn_reflns_av_sigmaI/netI    0.4650
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            63948
_diffrn_reflns_theta_full        28.55
_diffrn_reflns_theta_max         28.55
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    1.996
_exptl_absorpt_correction_T_max  0.9068
_exptl_absorpt_correction_T_min  0.8254
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7936
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.034
_refine_diff_density_min         -1.532
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         21799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.3302
_refine_ls_R_factor_gt           0.1434
_refine_ls_shift/su_max          0.030
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0358P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2121
_refine_ls_wR_factor_ref         0.2737
_reflns_number_gt                6972
_reflns_number_total             21799
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035162lsi20031007_084316.cif
_cod_data_source_block           pjc3abs1
_cod_database_code               4310726