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_7027718
_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         ' C18 H2 B1 F15 O1 '
_chemical_formula_sum            'C18 H2 B F15 O'
_chemical_formula_weight         529.99
_chemical_melting_point          ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90.
_cell_angle_beta                 98.092(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.8660(5)
_cell_length_b                   11.5140(3)
_cell_length_c                   14.5910(7)
_cell_measurement_reflns_used    10685
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      0
_cell_volume                     1807.32(13)
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_method       \wA
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3900
_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    0.22
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' colourless '
_exptl_crystal_density_diffrn    1.95
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' block '
_exptl_crystal_F_000             1032.91
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1206
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         3624
_refine_ls_R_factor_gt           0.0765
_refine_ls_shift/su_max          0.000247
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Chebychev polynomial with   3 parameters (Carruthers & Watkin, 1979)
 1.78 0.414 1.36
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0505
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              14
_reflns_limit_k_min              0
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                3624
_reflns_number_total             3900
_reflns_threshold_expression     >3.00\s(I)
_cod_data_source_file            905892csup1.cif
_cod_data_source_block           1
_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        1807.3
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        ' C18 H2 B1 F15 O1 '
_cod_database_code               7027718