Cyclopentadienyl nickel(ii) N,C-chelating benzothiazolyl NHC complexes: synthesis, characterization and application in catalytic C-C bond formation reactions.
Teo, Wei Jie; Wang, Zhe; Xue, Fei; Andy Hor, T. S.; Zhao, Jin; Dalton transactions (Cambridge, England : 2003) 45 (2016) 7312–7319; doi:10.1039/c6dt00252h

data_7038766
_publ_section_title
;
 Cyclopentadienyl nickel(ii) N,C-chelating benzothiazolyl NHC complexes:
 synthesis, characterization and application in catalytic C-C bond
 formation reactions.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7312
_journal_page_last               7319
_journal_paper_doi               10.1039/c6dt00252h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C22 H18 F6 N3 Ni P S'
_chemical_formula_weight         560.13
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2015-12-08 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;
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_diffrn_reflns_limit_l_min       -39
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_crystal_density_meas      ?
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0478P)^2^+7.8816P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
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_reflns_number_total             5091
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt00252h2.cif
_cod_data_source_block           E460A
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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.

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

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7038765--7038767.cif.
;
_cod_original_cell_volume        4401.6(9)
_cod_database_code               7038766
_shelx_estimated_absorpt_t_min   0.628
_shelx_estimated_absorpt_t_max   0.808
_shelxl_version_number           2014-3
_shelx_res_checksum              67502