A second crystal form of bis-μ-[bis(dimethylphosphino)methane]-bis(tricarbonylrhenium)(<i>Re</i>‒<i>Re</i>), Re~2~(dmpm)~2~(CO)~6~
Tyler, D. R.; Weakley, T. J. R.; Acta Crystallographica Section C 49 (1993) 1492–1493; doi:10.1107/S0108270193001696

data_2001451
_publ_section_title
;A second crystal form of
 bis-\m-[bis(dimethylphosphino)methane]-bis(tricarbonylrhenium)(<i>Re</i>--<i>Re</i>),
 Re~2~(dmpm)~2~(CO)~6~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1492
_journal_page_last               1493
_journal_paper_doi               10.1107/S0108270193001696
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C16 H28 O6 P4 Re2'
_chemical_formula_weight         812.70
_space_group_IT_number           2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 93.53(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.938(2)
_cell_length_b                   8.579(3)
_cell_length_c                   14.783(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      16.1
_cell_measurement_theta_min      11.5
_cell_volume                     1258.0(6)
_diffrn_measurement_device       'Riagaku AFC-6R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2532
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    10.0
_exptl_absorpt_correction_T_max  1.286
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stewart, 1983)'
_exptl_crystal_colour            amber
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         '0.64 (near Re)'
_refine_diff_density_min         -0.90
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.55
_refine_ls_hydrogen_treatment    'H atoms riding, B(H) = 1.2 B~eq~(C)'
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1463
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.15
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.02F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.038
_reflns_number_observed          1463
_reflns_number_total             2220
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hh1037.cif
_cod_data_source_block           hh1037a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F)+0.02F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.02F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1258.0(9)
_cod_original_sg_symbol_Hall     '-P 2yn'
_cod_original_sg_symbol_H-M      'P 1 21/n 1'
_cod_database_code               2001451