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_4076648
_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            'C28 H28 O4 Rh2'
_chemical_formula_weight         634.32
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   20.133(5)
_cell_length_b                   20.139(5)
_cell_length_c                   6.002(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2434(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1194
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            20634
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    1.389
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1272
_refine_diff_density_max         0.911
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       0.0023(5)
_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   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2111
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0736P)^2^+2.9565P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1324
_reflns_number_gt                1838
_reflns_number_total             2111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0108393.cif
_cod_data_source_block           10
_cod_database_code               4076648