Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.
Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 7796–7806; doi:10.1039/d0dt01118e

data_7704493
_publ_section_title
;
 Reversible nickel-metallacycle formation with a phosphinimine-based
 pincer ligand.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7796
_journal_page_last               7806
_journal_paper_doi               10.1039/d0dt01118e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C38 H33 N3 Ni P2, C7 H8'
_chemical_formula_sum            'C45 H41 N3 Ni P2'
_chemical_formula_weight         744.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
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_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2020-04-22 deposited with the CCDC.	2020-05-21 downloaded from the CCDC.
;
_cell_angle_alpha                74.272(2)
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_cell_angle_gamma                79.697(2)
_cell_formula_units_Z            2
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_cell_measurement_reflns_used    9977
_cell_measurement_temperature    100
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_cell_volume                     1808.50(13)
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_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'CMOS area detector'
_diffrn_measurement_device_type  'Bruker D8QUEST'
_diffrn_measurement_method       '\w and \f scans'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -18
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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^)+(0.0302P)^2^+2.1304P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                6868
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7704491--7704494.cif.'
_cod_database_code               7704493
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_shelx_estimated_absorpt_t_max   0.955
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