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_7013538
_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 C (CH3)3)4 (C20 H20 O6 N2)]'
_chemical_formula_sum            'C40 H56 N2 O14 Rh2'
_chemical_formula_weight         994.69
_chemical_melting_point          ?
_chemical_name_common
;
Catena-(mu2-O,O'-a,a'-azinobis(4-methoxy-phenyl acetic acid)
dimethyl ester)) -tetrakis(mu2-trimethylacetate-O,O') di-rhodium(II,II))
;
_chemical_name_systematic
;
Catena-(mu2-O,O'-a,a'-azinobis(4-methoxy-phenyl acetic acid) dimethyl ester))
-tetrakis(mu2-trimethylacetate-O,O') di-rhodium(II,II))
;
_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                61.582(2)
_cell_angle_beta                 76.869(2)
_cell_angle_gamma                71.626(2)
_cell_formula_units_Z            1
_cell_length_a                   9.4127(9)
_cell_length_b                   11.7589(11)
_cell_length_c                   12.0273(11)
_cell_measurement_reflns_used    6718
_cell_measurement_temperature    243(2)
_cell_measurement_theta_max      28.183
_cell_measurement_theta_min      2.29
_cell_volume                     1106.36(18)
_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      243(2)
_diffrn_measured_fraction_theta_full 0.900
_diffrn_measured_fraction_theta_max 0.900
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide \w exposures'
_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  0.0150
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6994
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.93
_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    0.811
_exptl_absorpt_correction_T_max  0.9606
_exptl_absorpt_correction_T_min  0.8745
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       plate
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.698
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         4925
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0305
_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^)+(0.0387P)^2^+0.6947P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                4436
_reflns_number_total             4925
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b309809p.txt
_cod_data_source_block           (1)
_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        1106.4(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013538