A new class of azadipnictiridines generated by an unusual rearrangement reaction.
Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander; Inorganic chemistry 53 (2014) 11682–11690; doi:10.1021/ic501905v

data_4341338
_publ_section_title
;
 A new class of azadipnictiridines generated by an unusual rearrangement
 reaction.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11682
_journal_page_last               11690
_journal_paper_doi               10.1021/ic501905v
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C66 H82 N2 P2 S2 Si2'
_chemical_formula_sum            'C66 H82 N2 P2 S2 Si2'
_chemical_formula_weight         1085.58
_chemical_name_systematic
;
 ?
;
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_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 79.540(3)
_cell_angle_gamma                68.269(2)
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_cell_length_c                   20.0312(11)
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_cell_measurement_theta_max      68.234
_cell_measurement_theta_min      4.782
_cell_volume                     3118.0(3)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
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_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -22
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_diffrn_reflns_number            125166
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1164
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_refine_ls_number_reflns         25430
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_refine_ls_R_factor_all          0.0690
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_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^)+(0.0586P)^2^+0.9211P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic501905v_si_002.cif
_cod_data_source_block           ah054b
_cod_depositor_comments
'Adding full bibliography for 4341335--4341344.cif.'
_cod_database_code               4341338