Crystal structure of dichloro(N,N-dimethylpyridin-4-amine)-(μ^6^-p-cymene) ruthenium(II), RuCl2(C~7~H~10~N~2~)(C~10~H~14~)
Kuan-Guan Liu; Xian-Chuan Li; Xiao-Qing Cai; Mao-Lin Hu; Zeitschrift für Kristallographie - New Crystal Structures 226 (2011) 533–; doi:

data_8103224
_publ_section_title
;
Crystal structure of dichloro(N,N-dimethylpyridin-4-amine)-(\m^6^-p-cymene)
ruthenium(II), RuCl2(C~7~H~10~N~2~)(C~10~H~14~)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              533
_journal_volume                  226
_journal_year                    2011
_chemical_formula_moiety         'C17 H24 Cl2 N2 Ru'
_chemical_formula_sum            'C17 H24 Cl2 N2 Ru'
_chemical_formula_weight         428.35
_chemical_name_systematic
; 
[(\m^^6^-p-Cymene)RuCl~2~(DMAP)](DMAP = N,N-Dimethylpyridin-4-amine)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 133.198(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.010(5)
_cell_length_b                   7.825(3)
_cell_length_c                   20.903(5)
_cell_measurement_reflns_used    4548
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.20
_cell_measurement_theta_min      2.67
_cell_volume                     1789.8(11)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL(Bruker, 2002)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8882
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    1.172
_exptl_absorpt_correction_T_max  0.7743
_exptl_absorpt_correction_T_min  0.7425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.807
_refine_diff_density_min         -1.135
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.343
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3201
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.343
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0246P)^2^+5.7529P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                2968
_reflns_number_total             3201
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            1267-3549.cff
_cod_data_source_block           402am
_cod_original_cell_volume        1789.8(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8103224