Coordination Chemistry of Ester-Functionalized Cp Ligands. A Versatile Approach to the Chiral Hydroxyalkoxycarbonylcyclopentadienide [C5H4CO2(CHMe)2OH]-. Synthesis, Structure, and Catalytic Activity of Rhodium(I) and Iron(II) Complexes
Busetto, Luigi; Cassani, M. Cristina; Mazzoni, Rita; Albano, Vincenzo G.; Sabatino, Piera; Frediani, Piero; Rivalta, Eleonora; Organometallics 21 (2002) 4993–; doi:10.1021/om0205492

data_4077069
_publ_section_title
;
 Coordination Chemistry of Ester-Functionalized Cp Ligands. A Versatile
 Approach to the Chiral Hydroxyalkoxycarbonylcyclopentadienide
 [C5H4CO2(CHMe)2OH]-. Synthesis, Structure, and Catalytic Activity of
 Rhodium(I) and Iron(II) Complexes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              4993
_journal_paper_doi               10.1021/om0205492
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C17 H21 O3 Rh'
_chemical_formula_weight         376.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.1220(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2991(8)
_cell_length_b                   5.8840(3)
_cell_length_c                   17.8028(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1566.87(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1129
_diffrn_reflns_av_sigmaI/netI    0.0795
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4882
_diffrn_reflns_theta_full        20.00
_diffrn_reflns_theta_max         20.00
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    1.097
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             768
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       0.0074(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         1464
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1030P)^2^+1.1155P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1421
_refine_ls_wR_factor_ref         0.1449
_reflns_number_gt                1372
_reflns_number_total             1464
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0205492.cif
_cod_data_source_block           rhrac_(7)
_cod_database_code               4077069