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_7242669
_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 H34 N6 O8 Zn'
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_space_group_name_Hall           '-P 2ab 2ac'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2021-04-14 deposited with the CCDC.	2021-04-19 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_point_group_measured_fraction_full 0.984
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_exptl_absorpt_coefficient_mu    0.833
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_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_description       Plate
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_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.6
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_exptl_transmission_factor_min   0.554
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0838P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1243
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2218
_reflns_number_total             2770
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00481f2.cif
_cod_data_source_block           CP-4
_cod_depositor_comments
'Adding full bibliography for 7242668--7242673.cif.'
_cod_database_code               7242669
_shelx_shelxl_version_number     2014/7
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_shelx_hkl_checksum              12915