New Synthesis and New Bio-Application of Cyclometalated Ruthenium(II) Complexes for Fast Mediated Electron Transfer with Peroxidase and Glucose Oxidase
Alexander D. Ryabov; Valentin S. Sukharev; Larissa Alexandrova; Ronan Le Lagadec; Michel Pfeffer; Inorganic Chemistry 40 (2001) 6529–6532; doi:10.1021/ic010423h

data_4320629
_publ_section_title
;
 New Synthesis and New Bio-Application of Cyclometalated Ruthenium(II)
 Complexes for Fast Mediated Electron Transfer with Peroxidase and Glucose
 Oxidase
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6529
_journal_page_last               6532
_journal_paper_doi               10.1021/ic010423h
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C73 H56 Cl6 F12 N10 O P2 Ru2'
_chemical_formula_sum            'C73 H56 Cl6 F12 N10 O P2 Ru2'
_chemical_formula_weight         1794.11
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.270(5)
_cell_angle_beta                 85.572(5)
_cell_angle_gamma                65.106(5)
_cell_formula_units_Z            1
_cell_length_a                   11.5739(5)
_cell_length_b                   12.0433(5)
_cell_length_c                   15.1394(4)
_cell_measurement_reflns_used    12712
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     1891.80(15)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measurement_details
;
  12712 reflections were collected using program Collect
 ("Collect" Data collection software, Nonius B.V., 1998)
 The conditions were as follow : crystal to detector distance =  36. mm.
 Scan angle =  2.0 deg 1 scans of   40 sec per frame.
 Data collection was divided into  5 set(s)
 with the following starting angles and number of frames :

 Set 1 Theta =    6.00 Omega =    0.00 Kappa =    0.00   91 frames
 Set 2 Theta =   -1.30 Kappa = -134.00 Phi   =    0.00   19 frames
 Set 3 Theta =   -5.70 Kappa = -169.00 Phi   =    0.00   20 frames
 Set 4 Theta =   -6.40 Kappa = -174.00 Phi   =    0.00   19 frames
 Set 5 Theta =   -6.40 Kappa =   89.00 Phi   =    0.00   18 frames
 Friedel pairs were averaged. Internal R = 0.03
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12712
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.734
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.57
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.194
_refine_diff_density_min         -0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.033
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     499
_refine_ls_number_reflns         5910
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.090
_refine_ls_R_factor_gt           0.060
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/(\s^2^(Fo^2^)+0.0004 Fo^4^)+0.2'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.196
_refine_ls_wR_factor_ref         0.081
_reflns_number_gt                5910
_reflns_number_total             8590
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic010423h_2.cif
_cod_data_source_block           st570
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/(\s^2^(Fo^2^)+0.0004
Fo^4^)+0.2' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 4Fo^2^/(\s^2^(Fo^2^)+0.0004 Fo^4^)+0.2'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1891.8(1)
_cod_database_code               4320629