Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.
Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.; Chemical communications (Cambridge, England) 56 (2020) 10501–10504; doi:10.1039/d0cc04862c

data_7126990
_publ_section_title
;
 Gleaned snapshots on the road to coordination polymers: heterometallic
 architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin
 metalloligands.
;
_journal_issue                   72
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10501
_journal_page_last               10504
_journal_paper_doi               10.1039/d0cc04862c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C228 H160 Cl0 Cu4 F24 N24 Ni4 P12'
_chemical_formula_sum            'C228 H160 Cl0 Cu4 F24 N24 Ni4 P12'
_chemical_formula_weight         4552.44
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-07-01 deposited with the CCDC.	2020-07-31 downloaded from the CCDC.
;
_cell_angle_alpha                73.564(4)
_cell_angle_beta                 86.988(4)
_cell_angle_gamma                72.007(4)
_cell_formula_units_Z            2
_cell_length_a                   18.207(2)
_cell_length_b                   26.995(4)
_cell_length_c                   28.766(4)
_cell_measurement_reflns_used    9356
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.55
_cell_measurement_theta_min      2.38
_cell_volume                     12888(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       none
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1002
_diffrn_reflns_av_sigmaI/netI    0.0912
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            299483
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.750
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             4640
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.334
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2665
_refine_ls_number_reflns         59120
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1331
_refine_ls_R_factor_gt           0.0946
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1972P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2674
_refine_ls_wR_factor_ref         0.2957
_reflns_number_gt                34792
_reflns_number_total             59120
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0cc04862c2.cif
_cod_data_source_block           sq
_cod_depositor_comments
'Adding full bibliography for 7126989--7126992.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7126990