Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands
Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben; New J. Chem. 41 (2017) 13442–13453; doi:10.1039/C7NJ02485A

data_7056646
_publ_section_title
;
 Synthesis and structural characterization of metal complexes with
 macrocyclic tetracarbene ligands
;
_journal_issue                   22
_journal_name_full               'New J. Chem.'
_journal_page_first              13442
_journal_page_last               13453
_journal_paper_doi               10.1039/C7NJ02485A
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C40 H40 F12 N8 P2 Pt'
_chemical_formula_weight         1117.83
_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   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2017-09-05 deposited with the CCDC.
2017-09-29 downloaded from the CCDC.
;
_cell_angle_alpha                75.394(4)
_cell_angle_beta                 69.092(2)
_cell_angle_gamma                67.037(2)
_cell_formula_units_Z            2
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_cell_measurement_reflns_used    4769
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      27.20
_cell_measurement_theta_min      2.32
_cell_volume                     2314.0(7)
_computing_cell_refinement       'Bruker FRAMBO'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      190(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_unetI/netI     0.1198
_diffrn_reflns_Laue_measured_fraction_full 0.963
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_diffrn_reflns_point_group_measured_fraction_full 0.963
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_exptl_absorpt_coefficient_mu    3.188
_exptl_absorpt_correction_T_max  0.7411
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_exptl_crystal_colour            colorless
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.920
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0758P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.646
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_shelx_res_checksum              38568