A newly-constructed hydrolytically stable Co(ii) coordination polymer showing dual responsive fluorescence sensing of pH and Cu2+
Yan, Min; Zhu, Peizhi; Yang, Shengyang; Kong, Wei-Jian; Wang, Jian; Zhang, Kou-Lin; CrystEngComm 23 (2021) 4370–4381; doi:10.1039/D1CE00404B

data_7242894
_publ_section_title
;
 A newly-constructed hydrolytically stable Co(ii) coordination polymer
 showing dual responsive fluorescence sensing of pH and Cu2+
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              4370
_journal_page_last               4381
_journal_paper_doi               10.1039/D1CE00404B
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C23 H33 Co N5 O10 S'
_chemical_formula_weight         630.53
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-03-24 deposited with the CCDC.	2021-05-17 downloaded from the CCDC.
;
_cell_angle_alpha                75.61(3)
_cell_angle_beta                 83.28(3)
_cell_angle_gamma                83.22(3)
_cell_formula_units_Z            2
_cell_length_a                   7.144(8)
_cell_length_b                   12.849(17)
_cell_length_c                   15.65(2)
_cell_measurement_reflns_used    4832
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.1764
_cell_measurement_theta_min      2.3551
_cell_volume                     1376(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.968
_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  0.0456
_diffrn_reflns_av_unetI/netI     0.0779
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14512
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.608
_diffrn_reflns_theta_min         2.361
_exptl_absorpt_coefficient_mu    0.763
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             658
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.397
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6200
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      3.185
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0386P)^2^+1.1350P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1131
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4112
_reflns_number_total             6200
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00404b2.cif
_cod_data_source_block           ym20190530_0m
_cod_depositor_comments          'Adding full bibliography for 7242894.cif.'
_cod_database_code               7242894
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.833
_shelx_estimated_absorpt_t_max   0.892
_shelx_res_checksum              89776
_shelx_hkl_checksum              37143