Direct gas-phase interaction of aryldiazoacetates and dirhodium catalystsElectronic supplementary information (ESI) available: 1H NMR spectra for compounds 1 and 2. See http://www.rsc.org/suppdata/dt/b3/b309809p/
Petrukhina, Marina A.; Andreini, Kristian W.; Walji, Abbas M.; Davies, Huw M. L.; Dalton Transactions  (2003) 4221–; doi:10.1039/b309809p

data_7013539
_publ_section_title
;
 Direct gas-phase interaction of aryldiazoacetates and dirhodium
 catalystsElectronic supplementary information (ESI) available: 1H NMR
 spectra for compounds 1 and 2. See
 http://www.rsc.org/suppdata/dt/b3/b309809p/
;
_journal_issue                   22
_journal_name_full               'Dalton Transactions'
_journal_page_first              4221
_journal_paper_doi               10.1039/b309809p
_journal_year                    2003
_chemical_formula_moiety         '[Rh2 (O2 C CF3)4 (OC(OCH3)CC6H4(OCH3))2]'
_chemical_formula_sum            'C28 H20 F12 O14 Rh2'
_chemical_formula_weight         1014.26
_chemical_melting_point          ?
_chemical_name_common
;
Catena-(mu2-(2,3-bis(4-methoxy-phenyl)-2-Butendioic acid-O,O'-
dimethyl ester)-tetrakis(mu2-trifluoroacetato-O,O')- di-rhodium (II,II))
;
_chemical_name_systematic
;
Catena-(mu2-(2,3-bis(4-methoxy-phenyl)-2-Butendioic acid-O,O'-dimethyl ester)-
tetrakis(mu2-trifluoroacetato-O,O')- di-rhodium (II,II))
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 107.010(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.064(3)
_cell_length_b                   20.754(6)
_cell_length_c                   8.544(2)
_cell_measurement_reflns_used    5107
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.7435
_cell_measurement_theta_min      2.3325
_cell_volume                     1706.5(8)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXCIF-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide \w exprosures'
_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  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            10438
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    1.100
_exptl_absorpt_correction_T_max  0.9573
_exptl_absorpt_correction_T_min  0.7481
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    1.974
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       plate
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.971
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.285
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         2990
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.311
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0521
_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^)+(0.0250P)^2^+6.5551P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1056
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                2431
_reflns_number_total             2990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b309809p.txt
_cod_data_source_block           (2)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_cell_volume        1706.6(8)
_cod_database_code               7013539