Seeded-growth self-assembled polymerization of a ferrocene-bearing palladium(II)-terpyridyl bimetallic complex.
Li, Zikang; Lau, Mei-Tung; Li, Jiahua; Qiu, Feng; Meng, Zhengong; Wong, Wai-Yeung; Chemical communications (Cambridge, England)  (2022) –; doi:10.1039/d2cc02375j

data_7130551
_publ_section_title
;
 Seeded-growth self-assembled polymerization of a ferrocene-bearing
 palladium(II)-terpyridyl bimetallic complex.
;
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_paper_doi               10.1039/d2cc02375j
_journal_year                    2022
_chemical_formula_moiety         'C29 H25 B2 F8 Fe N5 Pd'
_chemical_formula_sum            'C29 H25 B2 F8 Fe N5 Pd'
_chemical_formula_weight         779.41
_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   geom
_audit_block_doi                 10.5517/ccdc.csd.cc1ncsg8
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-02-02 deposited with the CCDC.	2022-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.56(2)
_cell_angle_beta                 112.57(2)
_cell_angle_gamma                109.78(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2240(10)
_cell_length_b                   11.5166(10)
_cell_length_c                   13.5262(10)
_cell_measurement_reflns_used    9877
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.97
_cell_measurement_theta_min      2.71
_cell_volume                     1499.5(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15868
_diffrn_reflns_point_group_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.973
_diffrn_reflns_theta_min         2.714
_exptl_absorpt_coefficient_mu    1.163
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.641
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         9012
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0461
_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^)+(0.0416P)^2^+3.6490P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1211
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7663
_reflns_number_total             9012
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2cc02375j2.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        1499.6(3)
_cod_database_code               7130551
_shelxl_version_number           2013-2
_shelx_res_checksum              93205