The First η^2^-CH~2~Cl~2~ Adduct of Ru(II):[RuH(η^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~] (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor
Huang, Dejian; Huffman, John C.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G.; Journal of the American Chemical Society 119 (1997) 7398–7399; doi:10.1021/ja970240n

data_5000376
_publ_section_title
;
 The First \h^2^-CH~2~Cl~2~ Adduct of
 Ru(II):[RuH(\h^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~]
 (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor
;
_journal_issue                   31
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7398
_journal_page_last               7399
_journal_paper_doi               10.1021/ja970240n
_journal_volume                  119
_journal_year                    1997
_chemical_formula_sum            'C57 H59 B F25 O P2 Ru'
_chemical_formula_weight         1408.86
_space_group_IT_number           15
_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
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 95.480(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.744(3)
_cell_length_b                   17.870(3)
_cell_length_c                   18.608(3)
_cell_measurement_temperature    293(2)
_cell_volume                     6204.4(17)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.0668
_diffrn_reflns_av_sigmaI/netI    0.1230
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5105
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    0.418
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_F_000             2852
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.264
_refine_ls_goodness_of_fit_obs   1.533
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         4037
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.264
_refine_ls_restrained_S_obs      1.533
_refine_ls_R_factor_all          0.1632
_refine_ls_R_factor_obs          0.0789
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc
 [1.00000+0.00000exp(0.00(sin\q/\l)^2^)]/
   [\s^2^(Fo^2^)+0.0000+0.0000*P+(0.0400P)^2^+0.0000sin\q/\l]
 where P = 1.00000Fo^2^ + 0.00000Fc^2^
;
_refine_ls_wR_factor_all         0.1550
_refine_ls_wR_factor_obs         0.1300
_reflns_number_observed          2133
_reflns_number_total             4037
_reflns_observed_criterion       >2sigma(I)
_cod_database_code               5000376