1,3,5-Triferrocenyl-2,4,6-tris(ethynylferrocenyl)-benzene - a new member of the family of multiferrocenyl-functionalized cyclic systems.
Pfaff, Ulrike; Filipczyk, Grzegorz; Hildebrandt, Alexander; Korb, Marcus; Lang, Heinrich; Dalton transactions (Cambridge, England : 2003) 43 (2014) 16310–16321; doi:10.1039/c4dt02307b

data_7032267
_publ_section_title
;
 1,3,5-Triferrocenyl-2,4,6-tris(ethynylferrocenyl)-benzene - a new member
 of the family of multiferrocenyl-functionalized cyclic systems.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
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_journal_page_last               16321
_journal_paper_doi               10.1039/c4dt02307b
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_journal_year                    2014
_chemical_formula_moiety         'C60 H36 Cl6 Fe4 I2'
_chemical_formula_sum            'C60 H36 Cl6 Fe4 I2'
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;
 ?
;
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_symmetry_space_group_name_Hall  '-C 2yc'
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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ORTEP-3 for Windows (Farrugia, 2012)
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WinGX (Farrugia, 2012), CIFTAB (Sheldrick, 1997)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0442
_diffrn_reflns_Laue_measured_fraction_full 0.989
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_diffrn_reflns_point_group_measured_fraction_full 0.989
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_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.978
_diffrn_standards_decay_%        0
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.899
_exptl_crystal_description       plate
_exptl_crystal_F_000             2832
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     266
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.1186
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1205P)^2^+150.5405P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2686
_refine_ls_wR_factor_ref         0.2784
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3666
_reflns_number_total             4411
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt02307b2.cif
_cod_data_source_block           UPCFcICl
_cod_depositor_comments
'Adding full bibliography for 7032266--7032268.cif.'
_cod_original_cell_volume        5061.0(7)
_cod_original_formula_sum        'C60 H0 H36 Cl6 Fe4 I2'
_cod_database_code               7032267
_shelxl_version_number           2013-4
_shelx_res_checksum              35893