Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.
Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich; Dalton transactions (Cambridge, England : 2003) 48 (2019) 6236–6247; doi:10.1039/c9dt00892f

data_7049574
_publ_section_title
;
 Controllable access to P-functional [3]ferrocenophane and
 [4]ferrocenophane frameworks.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6236
_journal_page_last               6247
_journal_paper_doi               10.1039/c9dt00892f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C44 H76 Fe2 N4 P4 Si4, C6 H14'
_chemical_formula_sum            'C50 H90 Fe2 N4 P4 Si4'
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_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-24 deposited with the CCDC.    2019-04-04 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker Kappa ApexII Duo'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         1.736
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_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0613
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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^)+(0.0357P)^2^+0.5315P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0863
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_reflns_number_gt                5269
_reflns_number_total             7025
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00892f2.cif
_cod_data_source_block           g83_mn
_cod_depositor_comments
'Adding full bibliography for 7049574--7049580.cif.'
_cod_original_cell_volume        1407.48(15)
_cod_database_code               7049574
_shelx_shelxl_version_number     2014/7
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