Oxidation of [M(η-C5H5)2], M = Cr, Fe or Co, by the new Brønsted acid H2O·B(C6F5)3 yielding the salts [M(η-C5H5)2]+A−, where A− = [(C6F5)3B(μ-OH)B(C6F5)3]− or [(C6F5)3BOH · · · H2OB(C6F5)3]− †
Doerrer, Linda H.; Green, Malcolm L. H.; Journal of the Chemical Society, Dalton Transactions  (1999) 4325–; doi:10.1039/a905892c

data_7027719
_publ_section_title
;
 Oxidation of [M(\h-C5H5)2], M&#x2005;=&#x2005;Cr, Fe or Co, by the new
 Br\/onsted acid H2O&#x00B7;B(C6F5)3 yielding the salts
 [M(\h-C5H5)2]+A&#x2212;, where
 A&#x2212;&#x2005;=&#x2005;[(C6F5)3B(\m-OH)B(C6F5)3]&#x2212; or
 [(C6F5)3BOH&#x200A;&#x200A;&#x00B7;&#x2005;&#x00B7;&#x2005;&#x00B7;&#x200A;&#x200A;H2OB(C6F5)3]&#x2212;&#x200A;&#x2020;
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4325
_journal_paper_doi               10.1039/a905892c
_journal_year                    1999
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C23.50 H7 B1 Cl1 Cr0.50 F15 O1 '
_chemical_formula_sum            'C23.5 H7 B Cl Cr0.5 F15 O'
_chemical_formula_weight         662.55
_chemical_melting_point          ?
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.
_cell_angle_beta                 90.63(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   14.231(3)
_cell_length_b                   24.002(5)
_cell_length_c                   14.202(3)
_cell_measurement_reflns_used    14096
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.57
_cell_measurement_theta_min      0
_cell_volume                     4850.7(18)
_diffrn_ambient_temperature      0
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.05
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4972
_diffrn_reflns_theta_max         26.57
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.510
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
'refined from delta-F (Walker & Stuart , 1983)'
_exptl_crystal_colour            ' orange '
_exptl_crystal_density_diffrn    1.74
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' box '
_exptl_crystal_F_000             2604.04
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.90
_refine_diff_density_min         -1.72
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9257
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4765
_refine_ls_R_factor_gt           0.0949
_refine_ls_shift/su_max          0.000284
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Chebychev polynomial with   3 parameters (Carruthers & Watkin, 1979)
 1.18 1.32 0.799
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0601
_reflns_limit_h_max              17
_reflns_limit_h_min              -17
_reflns_limit_k_max              30
_reflns_limit_k_min              0
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                4765
_reflns_number_total             4972
_reflns_threshold_expression     >3.00\s(I)
_cod_data_source_file            905892csup1.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic ' changed to 'monoclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        4850.8
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_original_formula_sum        ' C23.50 H7 B1 Cl1 Cr0.50 F15 O1 '
_cod_database_code               7027719