An efficient synthesis of polyynyl and polyynediyl complexes of ruthenium(II) †
Bruce, Michael I.; Hall, Ben C.; Kelly, Brian D.; Low, Paul J.; Skelton, Brian W.; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (1999) 3719–; doi:10.1039/a905174k

data_7027655
_publ_section_title
;
 An efficient synthesis of polyynyl and polyynediyl complexes of
 ruthenium(II)&#x200A;&#x2020;
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3719
_journal_paper_doi               10.1039/a905174k
_journal_year                    1999
_chemical_formula_sum            'C86.8 H73.3 O0.8 P4 Ru2'
_chemical_formula_weight         1455.2
_space_group_IT_number           54
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   21.542(6)
_cell_length_b                   11.463(3)
_cell_length_c                   29.377(15)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    293
_cell_measurement_theta_max      19.2
_cell_measurement_theta_min      15.4
_cell_volume                     7254(5)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
CAD4 diffractometer                
;
_diffrn_measurement_method       '2\q-\w scans'
_diffrn_radiation_detector       'single crystal'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_sigmaI/netI    .12
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6402
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         1.4
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  3600
_diffrn_standards_number         10
_exptl_absorpt_coefficient_mu    .551
_exptl_absorpt_correction_T_max  .92
_exptl_absorpt_correction_T_min  .83
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
 XTAL absorb                 
;
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2993.6
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.65
_refine_diff_density_min         -1.23
_refine_ls_abs_structure_details none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.342
_refine_ls_goodness_of_fit_ref   1.767
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           block-diagonal
_refine_ls_number_constraints    0
_refine_ls_number_parameters     424
_refine_ls_number_reflns         2457
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .151
_refine_ls_R_factor_gt           .058
_refine_ls_shift/su_max          .098
_refine_ls_shift/su_mean         .0023
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .068
_refine_ls_wR_factor_ref         .053
_reflns_limit_h_max              25
_reflns_limit_h_min              0
_reflns_limit_k_max              13
_reflns_limit_k_min              0
_reflns_limit_l_max              34
_reflns_limit_l_min              0
_reflns_number_observed          6402
_reflns_number_total             6402
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            905174ksup1.cif
_cod_data_source_block           br529
_cod_original_sg_symbol_Hall     -p_2a_2ac
_cod_original_sg_symbol_H-M      P_c_c_a
_cod_original_formula_sum        'C86.8 H73.3 O.8 P4 Ru2'
_cod_database_code               7027655