Diversity of metal-organic macrocycles assembled from carbazole based ligands with different lengths.
Yu, Hao; Wang, Jing; Guo, Xiangyang; Zhang, Rong; He, Cheng; Duan, Chunying; Dalton transactions (Cambridge, England : 2003) 47 (2018) 4040–4044; doi:10.1039/c8dt00252e

data_7045601
_publ_section_title
;
 Diversity of metal-organic macrocycles assembled from carbazole based
 ligands with different lengths.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4040
_journal_page_last               4044
_journal_paper_doi               10.1039/c8dt00252e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         C31H23N5
_chemical_formula_sum            'C70 H58 Cl4 N14 Ni2 O16'
_chemical_formula_weight         1610.52
_chemical_name_systematic        Ni-LA1
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_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   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2018-02-05 deposited with the CCDC.
2018-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      200(2)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1265
_diffrn_reflns_av_unetI/netI     0.2554
_diffrn_reflns_Laue_measured_fraction_full 0.968
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_diffrn_reflns_limit_k_min       -37
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_diffrn_reflns_point_group_measured_fraction_full 0.968
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_exptl_crystal_description       needle-like
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'Re-crystallisation from solvent: CH3CN/CH3OH'
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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^)+(0.0300P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                2057
_reflns_number_total             7012
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00252e2.cif
_cod_data_source_block           NILA1
_cod_depositor_comments
'Adding full bibliography for 7045601--7045603.cif.'
_cod_original_cell_volume        7989(2)
_cod_database_code               7045601
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