Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand
Dias, H. V. Rasika; Pramanik, Abhijit; Acta Crystallographica Section E 76 (2020) 1741–1747; doi:10.1107/S2056989020013341

data_2243623
_publ_section_title
;
 Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a
 pyridine dipyrrolide pincer ligand
;
_journal_coeditor_code           ZL2799
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1741
_journal_page_last               1747
_journal_paper_doi               10.1107/S2056989020013341
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C41 H35 N3'
_chemical_formula_moiety         'C41 H35 N3'
_chemical_formula_sum            'C41 H35 N3'
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_chemical_name_common
;
2,6-Bis(3,5-di-<i>p</i>-tolylpyrrol-2-yl)pyridine
;
_chemical_name_systematic
;
2,6-Bis[3,5-bis(4-methylphenyl)pyrrol-2-yl]pyridine
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
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;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
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SAINT Bruker, 2016)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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ShelXL (Sheldrick, 2015a)
;
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;
ShelXT (Sheldrick, 2015b)
;
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'Bruker D8 Quest with a Photon 100 CMOS detector'
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_diffrn_reflns_limit_k_min       -46
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_diffrn_reflns_limit_l_min       -7
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_diffrn_reflns_theta_min         2.846
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;
(SADABS; Bruker, 2016)
;
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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^)+(0.0644P)^2^+2.7619P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_fobs_code          2243623
_shelx_estimated_absorpt_t_min   0.980
_shelx_estimated_absorpt_t_max   0.992
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