Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.
Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong; Dalton transactions (Cambridge, England : 2003) 44 (2015) 12128–12136; doi:10.1039/c5dt00161g

data_7034299
_publ_section_title
;
 Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes
 resulting in different outcomes from their palladium analogues.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12128
_journal_page_last               12136
_journal_paper_doi               10.1039/c5dt00161g
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C34 H46 Ni O2 P2'
_chemical_formula_sum            'C34 H46 Ni O2 P2'
_chemical_formula_weight         607.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 99.331(2)
_cell_angle_gamma                90.00
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_cell_length_b                   16.0405(5)
_cell_length_c                   14.9995(5)
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_cell_measurement_theta_min      4.17
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_computing_cell_refinement       'Bruker SAINT v7.66A'
_computing_data_collection       'Bruker SMART v5.634'
_computing_data_reduction        'Bruker SAINT v7.66A'
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_computing_publication_material  'Bruker SHELXTL v6.14'
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_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART6000 CCD'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25317
_diffrn_reflns_theta_full        67.53
_diffrn_reflns_theta_max         67.53
_diffrn_reflns_theta_min         4.06
_exptl_absorpt_coefficient_mu    2.094
_exptl_absorpt_correction_T_max  0.8504
_exptl_absorpt_correction_T_min  0.6675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2008/1 (Sheldrick)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_min          0.08
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     379
_refine_ls_number_reflns         5510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0847P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1337
_refine_ls_wR_factor_ref         0.1544
_reflns_number_gt                3598
_reflns_number_total             5510
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c5dt00161g3.cif
_cod_data_source_block           5b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 

 Adding full bibliography for 7034299--7034302.cif.
;
_cod_original_cell_volume        3097.56(17)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7034299