A multifunctional catenated host for efficient binding of Eu3+ and Gd3+
Ghosh, Pradyut; Nandi, Mandira; Bej, Somnath; Ghosh, Tamal Kanti; Chemical Communications  (2019) –; doi:10.1039/C9CC00090A

data_7122951
_publ_section_title
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 A multifunctional catenated host for efficient binding of Eu3+ and Gd3+
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_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC00090A
_journal_year                    2019
_chemical_formula_moiety         'C36 H48 N2 O5'
_chemical_formula_sum            'C36 H48 N2 O5'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_audit_update_record
;
2018-10-03 deposited with the CCDC.
2019-02-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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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^)+0.3605P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1463
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1542
_reflns_number_total             2721
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc00090a2.cif
_cod_data_source_block           AXLE
_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
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_cod_database_code               7122951
_shelx_shelxl_version_number     2014/6
_shelx_res_checksum              59489