Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.
Korb, Marcus; Moggach, Stephen A.; Low, Paul J.; Chemical communications (Cambridge, England) 57 (2021) 4251–4254; doi:10.1039/d1cc00605c

data_7128066
_publ_section_title
;
 Synthesis of a diferrocenylvinylidene complex by migration of a
 ferrocenyl substituent.
;
_journal_issue                   35
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4251
_journal_page_last               4254
_journal_paper_doi               10.1039/d1cc00605c
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C61 H51 Fe2 P2 Ru, C32 H12 B F24'
_chemical_formula_sum            'C93 H63 B F24 Fe2 P2 Ru'
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_audit_update_record
;
2021-01-17 deposited with the CCDC.	2021-03-25 downloaded from the CCDC.
;
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'XtaLAB Synergy, Single source at home/near, HyPix'
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_diffrn_reflns_theta_max         66.499
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.75a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'orange pink'
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_description       block
_exptl_crystal_F_000             7744
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_refine_ls_number_reflns         14268
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_refine_ls_restrained_S_all      0.999
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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^)+(0.1260P)^2^+35.7610P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1834
_refine_ls_wR_factor_ref         0.1958
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11035
_reflns_number_total             14268
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc00605c2.cif
_cod_data_source_block           MK-W-147B-F2-F2
_cod_depositor_comments
'Adding full bibliography for 7128064--7128069.cif.'
_cod_original_cell_volume        16311.0(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7128066
_shelx_shelxl_version_number     2018/3
_oxdiff_exptl_absorpt_empirical_full_min 0.485
_oxdiff_exptl_absorpt_empirical_full_max 8.949
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              47139
_shelx_hkl_checksum              51811