{<i>N</i>-[Bis(2-pyridyl)methyl]-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)amine-κ^5^<i>N</i>}chlororuthenium(II) perchlorate methanol solvate
Kojima, Takahiko; Weber, David M.; Choma, Christin T.; Acta Crystallographica Section E 61 (2005) m226–m228; doi:10.1107/S1600536804032209

data_2205149
_publ_section_title
;{<i>N</i>-[Bis(2-pyridyl)methyl]-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)amine-\k^5^<i>N</i>}chlororuthenium(II)
 perchlorate methanol solvate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m226
_journal_page_last               m228
_journal_paper_doi               10.1107/S1600536804032209
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ru Cl (C23 H21 N5)] Cl O4, C H4 O'
_chemical_formula_moiety         'C23 H21 Cl N5 Ru, Cl O4, C H4 O'
_chemical_formula_sum            'C24 H25 Cl2 N5 O5 Ru'
_chemical_formula_weight         635.47
_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'
_cell_angle_alpha                90
_cell_angle_beta                 118.349(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.768(2)
_cell_length_b                   13.048(2)
_cell_length_c                   15.084(2)
_cell_measurement_reflns_used    31496
_cell_measurement_temperature    113.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.2
_cell_volume                     2558.0(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
;teXsan Version 1.11 (Molecular Structure Corporation &  Rigaku Corporation,
2000)
;
_computing_molecular_graphics    'teXsan Version 1.11'
_computing_publication_material  'teXsan Version 1.11'
_computing_structure_refinement
'teXsan Version 1.10 (Molecular Structure Corporation, 1985--1999)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1994)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9799
_diffrn_measured_fraction_theta_max 0.9799
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID imaging-plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17293
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.867
_exptl_absorpt_correction_T_max  0.841
_exptl_absorpt_correction_T_min  0.444
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1288.00
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.18
_refine_diff_density_min         -1.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.319
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5743
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/{\s^2^(Fo^2^) + [0.06(max(Fo^2^,0) + 2Fc^2^)/3]^2^}'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1195
_reflns_number_gt                4780
_reflns_number_total             5745
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            sj6039.cif
_cod_data_source_block           I
_cod_original_cell_volume        2558.0(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2205149
_cod_database_fobs_code          2205149