Direct Observation of Fine Structure Transitions in a Paramagnetic Nickel(II) Complex Using Far-Infrared Magnetic Spectroscopy: A New Method for Studying High-Spin Transition Metal Complexes
Suriyakan Vongtragool; Boris Gorshunov; Martin Dressel; J. Krzystek; David M. Eichhorn; Joshua Telser; Inorganic Chemistry 42 (2003) 1788–1790; doi:10.1021/ic030013o

data_4313414
_publ_section_title
;
 Direct Observation of Fine Structure Transitions in a Paramagnetic
 Nickel(II) Complex Using Far-Infrared Magnetic Spectroscopy: A New Method
 for Studying High-Spin Transition Metal Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1788
_journal_page_last               1790
_journal_paper_doi               10.1021/ic030013o
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C36 H30 Cl2 P2 Zn '
_chemical_formula_sum            'C36 H30 Cl2 P2 Zn'
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             19103-01-22
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                89.99(3)
_cell_angle_beta                 104.55(4)
_cell_angle_gamma                90.08(4)
_cell_formula_units_Z            4
_cell_length_a                   11.816(7)
_cell_length_b                   17.205(7)
_cell_length_c                   16.940(7)
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_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
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_exptl_absorpt_process_details
;
(North,Phillips & Matthews, 1968)
;
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00024|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                3242
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_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            ic030013o.cif
_cod_data_source_block           JOSH'S_ZN(PPH3)2CL2
_cod_depositor_comments
;
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_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C36 H30 Cl2 P2 Zn '
_cod_database_code               4313414