The useful properties of H2O as a ligand of a hydrogenase mimic.
Zheng, Chunbai; Kim, Kyoungmok; Matsumoto, Takahiro; Ogo, Seiji; Dalton transactions (Cambridge, England : 2003) 39 (2010) 2218–2225; doi:10.1039/b921273f

data_7024779
_publ_section_title
;
 The useful properties of H2O as a ligand of a hydrogenase mimic.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2218
_journal_page_last               2225
_journal_paper_doi               10.1039/b921273f
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C17 H25 B2 F8 N O2 Ru'
_chemical_formula_weight         550.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Sat Sep 12 15:32:37 2009'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 94.086(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.616(3)
_cell_length_b                   15.548(6)
_cell_length_c                   15.946(6)
_cell_measurement_reflns_used    6941
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     2130.7(14)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  'teXsan Ver. 2.0'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      123.15
_diffrn_detector_area_resol_mean 28.57
_diffrn_measured_fraction_theta_full 0.9683
_diffrn_measured_fraction_theta_max 0.9683
_diffrn_measurement_device_type  'Rigaku/MSC Saturn CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4949
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_exptl_absorpt_coefficient_mu    0.819
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.699
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chip
_exptl_crystal_F_000             1104.00
_exptl_crystal_size_max          0.900
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.59
_refine_diff_density_min         -1.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4766
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.11700(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1479
_reflns_number_gt                4119
_reflns_number_total             4766
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b921273f.txt
_cod_data_source_block           '_BzpyRuH2OBF4'
_cod_original_cell_volume        2130.8(13)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C17 H25 B2 F8 N O2 Ru '
_cod_database_code               7024779