Coordination Chemistry of Ester-Functionalized Cp Ligands. The Atom-Economy Synthesis of Na[C5H4CO2(CH2)2OH] and Solid State Structures of [Rh{C5H4CO2(CH2)2OH}(CO)2] and [Rh2{μ-(C5H4CO2CH2)2}(NBD)2]
Busetto, Luigi; Cassani, M. Cristina; Albano, Vincenzo G.; Sabatino, Piera; Organometallics 21 (2002) 1849–; doi:10.1021/om0108393

data_4076647
_publ_section_title
;
 Coordination Chemistry of Ester-Functionalized Cp Ligands. The
 Atom-Economy Synthesis of Na[C5H4CO2(CH2)2OH] and Solid State Structures
 of [Rh{C5H4CO2(CH2)2OH}(CO)2] and [Rh2{\m-(C5H4CO2CH2)2}(NBD)2]
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              1849
_journal_paper_doi               10.1021/om0108393
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C10 H9 O5 Rh'
_chemical_formula_weight         312.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_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                 92.543(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.0910(10)
_cell_length_b                   5.7689(3)
_cell_length_c                   19.4140(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2136.04(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0845
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            26862
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    1.600
_exptl_crystal_density_diffrn    1.941
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1232
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.968
_refine_diff_density_rms         0.102
_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     148
_refine_ls_number_reflns         3114
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0289
_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^)+(0.0370P)^2^+1.4748P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                2823
_reflns_number_total             3114
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0108393.cif
_cod_data_source_block           7
_cod_database_code               4076647