The first water-soluble polynuclear metallamacrocyclic Sr(ii)-Cu(ii) complex based on simple glycinehydroximate ligands.
Katkova, Marina A.; Zabrodina, Galina S.; Zhigulin, Grigory Yu; Baranov, Evgeny V.; Trigub, Maria M.; Terentiev, Alexey A.; Ketkov, Sergey Yu; Dalton transactions (Cambridge, England : 2003) 48 (2019) 10479–10487; doi:10.1039/c9dt01368g

data_7700186
_publ_section_title
;
 The first water-soluble polynuclear metallamacrocyclic Sr(ii)-Cu(ii)
 complex based on simple glycinehydroximate ligands.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10479
_journal_page_last               10487
_journal_paper_doi               10.1039/c9dt01368g
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C10 H42 Cl2 Cu5 N10 O21 Sr'
_chemical_formula_weight         1114.75
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-12-26 deposited with the CCDC.    2019-04-02 downloaded from the CCDC.
;
_cell_angle_alpha                111.9510(10)
_cell_angle_beta                 101.5430(10)
_cell_angle_gamma                90.3440(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4365(2)
_cell_length_b                   13.2787(3)
_cell_length_c                   15.0575(4)
_cell_measurement_reflns_used    9811
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.35
_cell_measurement_theta_min      2.21
_cell_volume                     1707.80(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Quest CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35711
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.317
_diffrn_reflns_theta_min         2.384
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    4.857
_exptl_absorpt_correction_T_max  0.6589
_exptl_absorpt_correction_T_min  0.4725
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    2.168
_exptl_crystal_description       plate
_exptl_crystal_F_000             1114
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.849
_refine_diff_density_min         -0.977
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         16421
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0266
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0154P)^2^+0.8959P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0577
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14112
_reflns_number_total             16421
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01368g2.cif
_cod_data_source_block           srcucrownm
_cod_depositor_comments          'Adding full bibliography for 7700186.cif.'
_cod_database_code               7700186
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.415
_shelx_estimated_absorpt_t_max   0.829
_shelx_res_checksum              82834