Synthesis, 1H/13C NMR spectroscopic and structural studies of sterically induced internal dynamics in novel mono- and di-ruthenium(II) 2,2′∶6′,2″-terpyridine complexes of 2,3-bis(2,2′-bipyridin-6-yl)pyrazine
Heirtzler, Fenton R.; Neuburger, Markus; Zehnder, Margareta; Bird, Steven J.; Orrell, Keith G.; Sik, Vladimir; Journal of the Chemical Society, Dalton Transactions  (1999) 565–; doi:10.1039/a807970f

data_7027141
_publ_section_title
;
 Synthesis, 1H/13C NMR spectroscopic and structural studies of sterically
 induced internal dynamics in novel mono- and di-ruthenium(II)
 2,2&#x2032;&#x2236;6&#x2032;,2&#x2033;-terpyridine complexes of
 2,3-bis(2,2&#x2032;-bipyridin-6-yl)pyrazine
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              565
_journal_paper_doi               10.1039/a807970f
_journal_year                    1999
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C54 H38 N12 Ru2 * 4 PF6 * 5.5 C3H6O '
_chemical_formula_sum            'C70.5 H71 F24 N12 O5.5 P4 Ru2'
_chemical_formula_weight         1956.41
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_audit_creation_date             98-07-04
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 108.70(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.288(5)
_cell_length_b                   13.901(2)
_cell_length_c                   29.507(9)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    223
_cell_measurement_theta_max      45
_cell_measurement_theta_min      19
_cell_volume                     9048(4)
_diffrn_ambient_temperature      223
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.04
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            11156
_diffrn_reflns_theta_max         58.86
_diffrn_reflns_theta_min         2.68
_diffrn_standards_decay_%        9.58
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.34
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.37
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scans
_exptl_crystal_colour            ' black '
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_description       ' prism '
_exptl_crystal_F_000             3944
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.91
_refine_diff_density_min         -1.38
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   0.9467
_refine_ls_number_parameters     1073
_refine_ls_number_reflns         6934
_refine_ls_R_factor_obs          0.1145
_refine_ls_shift/esd_max         0.785924
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.1293
_reflns_limit_h_max              24
_reflns_limit_h_min              -25
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              32
_reflns_limit_l_min              0
_reflns_number_observed          6934
_reflns_number_total             10561
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            807970fsup1.cif
_cod_data_source_block           FH555A
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'monoclinic ' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        9048(5)
_cod_original_sg_symbol_H-M      'P 2/a'
_cod_original_formula_sum        ' C70.50 H71 Ru2 N12 P4 F24 O5.50 '
_cod_database_code               7027141