Weakly-coordinating anions stabilise the unprecedented monovalent and divalent η-benzene nickel cations [(η-C5H5)Ni(η-C6H6)Ni(η-C5H5)]2+ and [Ni(η-C6H6)2]2+
Priego, José L.; Doerrer, Linda H.; Rees, Leigh H.; Green, Malcolm. L. H.; Chemical Communications  (2000) 779–; doi:10.1039/b001190h

data_7110895
_publ_section_title
;
 Weakly-coordinating anions stabilise the unprecedented monovalent and
 divalent \h-benzene nickel cations [(\h-C5H5)Ni(\h-C6H6)Ni(\h-C5H5)]2+
 and [Ni(\h-C6H6)2]2+
;
_journal_issue                   9
_journal_name_full               'Chemical Communications'
_journal_page_first              779
_journal_paper_doi               10.1039/b001190h
_journal_year                    2000
_chemical_compound_source
;
?
;
_chemical_formula_moiety         'C30 B3 F25 O3, C16 H16 Ni2, C H2 Cl2'
_chemical_formula_sum            'C47 H18 B3 Cl2 F25 Ni2 O3'
_chemical_formula_weight         1326.37
_chemical_melting_point          ?
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                73.658(6)
_cell_angle_beta                 75.969(6)
_cell_angle_gamma                71.607(6)
_cell_formula_units_Z            2
_cell_length_a                   11.873(7)
_cell_length_b                   13.526(8)
_cell_length_c                   16.304(8)
_cell_measurement_reflns_used    12916
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      0
_cell_volume                     2350(2)
_computing_molecular_graphics
;                                                                               
 CAMERON (Watkin, Prout & Pearce,  1996)                                        
;
_computing_publication_material
;                                                                               
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)                
;
_computing_structure_refinement
;                                                                               
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)                
;
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_max 0.828
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.03
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8130
_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    1.06
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' orange-brown '
_exptl_crystal_density_diffrn    1.87
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' thinblock '
_exptl_crystal_F_000             1310.44
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0715
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         6045
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.000535
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters, Carruthers & Watkin , 1979, 
 2.17    0.844     1.64    
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0572
_reflns_limit_h_max              14
_reflns_limit_h_min              -14
_reflns_limit_k_max              16
_reflns_limit_k_min              -16
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_gt                6045
_reflns_number_total             8130
_reflns_threshold_expression     >3.00\s(I)
_cod_data_source_file            b001190hsup1.cif
_cod_data_source_block           complex2
_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
'Triclinic ' changed to 'triclinic' 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        2350.0(5)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7110895