A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.
Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi; Chemical communications (Cambridge, England) 56 (2020) 6846–6849; doi:10.1039/d0cc02543g

data_7126528
_publ_section_title
;
 A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively
 conjugated antiaromatic dyad.
;
_journal_issue                   50
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6846
_journal_page_last               6849
_journal_paper_doi               10.1039/d0cc02543g
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C36 H28 N4 Ni, 2(C2 H2 Cl4)'
_chemical_formula_sum            'C40 H32 Cl8 N4 Ni'
_chemical_formula_weight         911.00
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_space_group_name_Hall           '-P 2ybc'
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_audit_update_record
;
2020-03-21 deposited with the CCDC.	2020-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_ambient_temperature      93(2)
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_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  Confocal
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
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_diffrn_reflns_limit_h_min       -24
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_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.992
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_description       prism
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.113
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.054
_refine_diff_density_max         1.350
_refine_diff_density_min         -0.510
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10822
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0858P)^2^+3.9588P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1479
_refine_ls_wR_factor_ref         0.1588
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8740
_reflns_number_total             10822
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           v191017_cotdimer3_a
_cod_depositor_comments
'Adding full bibliography for 7126528--7126530.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7126528
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              94523