Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry
Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli; Dalton Transactions  (2022) –; doi:10.1039/D2DT00728B

data_7710224
_publ_section_title
;
 Phosphorus or nitrogen -- the first phosphatriptycene in coordination
 polymer chemistry
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00728B
_journal_year                    2022
_chemical_formula_moiety         'C58 H40 Au2 Cl4 N2 P2 Si2 Zn, 3(C H Cl3)'
_chemical_formula_sum            'C61 H43 Au2 Cl13 N2 P2 Si2 Zn'
_chemical_formula_weight         1842.24
_chemical_name_common            10b
_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
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-03-01 deposited with the CCDC.	2022-05-03 downloaded from the CCDC.
;
_cell_angle_alpha                105.147(4)
_cell_angle_beta                 101.118(4)
_cell_angle_gamma                105.579(4)
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_cell_length_b                   16.5151(16)
_cell_length_c                   20.3979(19)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      53.84
_cell_measurement_theta_min      2.25
_cell_volume                     3214.2(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
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_computing_molecular_graphics    'PLATON (Spek, 2009)'
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  multilayer-optics
_diffrn_radiation_source         microsource
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.964
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_diffrn_reflns_theta_max         55.158
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_exptl_absorpt_coefficient_mu    5.593
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6479
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
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_refine_ls_R_factor_all          0.0955
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0551P)^2^+2.5966P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt00728b2.cif
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_shelx_res_checksum              71104