Bis[μ-4-(ethylammoniomethyl)-3,5-dimethylpyrazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^]bis[(η^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane methanol solvate
Esquius, Glòria; Pons, Josefina; Yáñez, Ramón; Ros, Josep; Solans, Xavier; Font-Bardia, Mercè; Acta Crystallographica Section C 58 (2002) m133–m134; doi:10.1107/S0108270101020017

data_2012517
_publ_section_title
;Bis[\m-4-(ethylammoniomethyl)-3,5-dimethylpyrazolato-\k^2^<i>N</i>^1^:<i>N</i>^2^]bis[(\h^4^-1,5-cyclooctadiene)rhodium(I)]
 dichloride dichloromethane methanol solvate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m133
_journal_page_last               m134
_journal_paper_doi               10.1107/S0108270101020017
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac
'[Rh2 (C8 H12)2 (C8 H15 N3)2] Cl2 , CH2Cl2 , CH3OH'
_chemical_formula_moiety
'C32 H54 N6 Rh2 2+ , 2Cl - , C H2 Cl2 , C H4 O'
_chemical_formula_sum            'C34 H60 Cl4 N6 O Rh2'
_chemical_formula_weight         916.52
_chemical_name_systematic
;
Bis[\m-2-(ethylammoniomethyl)-3,5-dimethylpyrazolato-\k^2^N^1^:N^2^]
bis[(\h^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane
methanol solvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90
_cell_angle_beta                 108.24(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.587(3)
_cell_length_b                   25.762(9)
_cell_length_c                   13.240(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21
_cell_measurement_theta_min      12
_cell_volume                     4078(4)
_computing_cell_refinement       CAD-4/PC
_computing_data_collection       'CAD-4/PC (Kretschmar, 1996)'
_computing_data_reduction        'CFEO (Solans, 1978)'
_computing_molecular_graphics    'ORTEP3.2 (Brueggermann & Schmid, 1990)'
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .981
_diffrn_measured_fraction_theta_max .981
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .061
_diffrn_reflns_av_sigmaI/netI    .039
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6120
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.92
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.110
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .1
_refine_diff_density_max         .58
_refine_diff_density_min         -.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .978
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         5860
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      .990
_refine_ls_R_factor_all          .054
_refine_ls_R_factor_gt           .028
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0406P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .072
_refine_ls_wR_factor_ref         .079
_reflns_number_gt                4234
_reflns_number_total             5860
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob1049.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2012517
_cod_database_fobs_code          2012517