A squaramide-based metal-organic framework as a luminescent sensor for the detection of lactose in aqueous solution and in milk.
Jiang, Min; Li, Pingping; Wu, Pengyan; Zhang, Fengjie; Tian, Xueqing; Deng, Chaofan; Wang, Jian; Chemical communications (Cambridge, England) 54 (2018) 9131–9134; doi:10.1039/c8cc04723e

data_7121946
_publ_section_title
;
 A squaramide-based metal-organic framework as a luminescent sensor for
 the detection of lactose in aqueous solution and in milk.
;
_journal_issue                   66
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9131
_journal_page_last               9134
_journal_paper_doi               10.1039/c8cc04723e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C28 H18 Co N4 O7'
_chemical_formula_weight         581.39
_chemical_name_common            Co-DBPY
_chemical_name_systematic        Co-DBPY
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-05-17 deposited with the CCDC.
2018-07-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.161(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.386(2)
_cell_length_b                   23.961(5)
_cell_length_c                   14.850(3)
_cell_measurement_reflns_used    2632
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      17.592
_cell_measurement_theta_min      2.5085
_cell_volume                     3928.3(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_k_min       -22
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    0.473
_exptl_absorpt_correction_T_max  0.9113
_exptl_absorpt_correction_T_min  0.8989
_exptl_crystal_colour            red
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1188
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0868P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1984
_refine_ls_wR_factor_ref         0.2148
_reflns_number_gt                2609
_reflns_number_total             6925
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8cc04723e2.cif
_cod_data_source_block           1_sq_d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

 Adding full bibliography for 7121946.cif.
;
_cod_original_cell_volume        3928.5(14)
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               7121946