Influence of the substituent R1 on the reactivity of [(η5-C5H5)Fe{(η5-C5H4)‒CHN‒(R1)‒OH}] {R1 = ‒CH2‒CH2‒ or 1,2-C6H4} with platinum(ii) and on the properties of the complexes
López, Concepción; Pérez, Sonia; Solans, Xavier; Font-Bardía, Mercè; Calvet, Teresa; New Journal of Chemistry 34 (2010) 676–; doi:10.1039/b9nj00509a

data_7053345
_publ_section_title
;
 Influence of the substituent R1 on the reactivity of
 [(\h5-C5H5)Fe{(\h5-C5H4)--CH&#xE001;N--(R1)--OH}] {R1 = --CH2--CH2-- or
 1,2-C6H4} with platinum(ii) and on the properties of the complexes
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              676
_journal_paper_doi               10.1039/b9nj00509a
_journal_volume                  34
_journal_year                    2010
_chemical_formula_moiety         'C31 H29 Cl Fe N O P Pt'
_chemical_formula_sum            'C31 H29 Cl Fe N O P Pt'
_chemical_formula_weight         748.91
_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                96.46(3)
_cell_angle_beta                 96.67(4)
_cell_angle_gamma                107.30(4)
_cell_formula_units_Z            2
_cell_length_a                   9.841(8)
_cell_length_b                   11.040(6)
_cell_length_c                   13.762(8)
_cell_measurement_reflns_used    37
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31
_cell_measurement_theta_min      3
_cell_volume                     1400.7(16)
_computing_cell_refinement       AUTOMAR
_computing_data_collection       MARXDS
_computing_data_reduction        MARSCALE
_computing_molecular_graphics    'ORTEP (Brueggermann and Smith, 1990)'
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measurement_device_type  'MAR345 with image plate detector'
_diffrn_measurement_method       'phi scan'
_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  0.0691
_diffrn_reflns_av_sigmaI/netI    0.1596
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16100
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.43
_diffrn_reflns_theta_min         2.65
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    5.683
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.286
_refine_diff_density_min         -1.077
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.843
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         8823
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      0.841
_refine_ls_R_factor_all          0.1426
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0201P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1160
_reflns_number_gt                4053
_reflns_number_total             8823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b9nj00509a.txt
_cod_data_source_block           chnm18b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7053345