Intrinsic structural features of coordination polymers make an impact on dye selectivity
Brahma, Rinki; Baruah, Jubaraj B.; CrystEngComm 23 (2021) 3812–3827; doi:10.1039/D1CE00481F

data_7242671
_publ_section_title
;
 Intrinsic structural features of coordination polymers make an impact on
 dye selectivity
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              3812
_journal_page_last               3827
_journal_paper_doi               10.1039/D1CE00481F
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C30 H32 Co N6 O8'
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_space_group_name_Hall           '-P 2ab 2ac'
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_audit_update_record
;
2021-02-15 deposited with the CCDC.	2021-04-19 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
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_diffrn_reflns_theta_max         25.043
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_exptl_absorpt_coefficient_mu    0.597
_exptl_absorpt_correction_T_max  0.699
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1380
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.8
_exptl_crystal_size_min          0.6
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0570
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_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0779P)^2^+4.2498P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1370
_refine_ls_wR_factor_ref         0.1477
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2259
_reflns_number_total             2822
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00481f2.cif
_cod_data_source_block           CP-2
_cod_depositor_comments
'Adding full bibliography for 7242668--7242673.cif.'
_cod_database_code               7242671
_shelx_shelxl_version_number     2014/7
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