Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.
Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca; Dalton transactions (Cambridge, England : 2003) 52 (2023) 394–408; doi:10.1039/d2dt03833a

data_7711894
_publ_section_title
;
 Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              394
_journal_page_last               408
_journal_paper_doi               10.1039/d2dt03833a
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C32 H20 B F15 W Zr, 2(C6 H6)'
_chemical_formula_structural     'W-Zr complex III'
_chemical_formula_sum            'C50 H32 B F15 W Zr'
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;
2022-10-12 deposited with the CCDC.	2022-12-08 downloaded from the CCDC.
;
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'SHELXL-2018/3 (Sheldrick, 2015b) and WINGX (Farrugia, 2012)'
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_diffrn_source                   'Rotating-anode X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.79a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_description       block
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0183
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_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0125P)^2^+4.7706P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0361
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_reflns_number_gt                9133
_reflns_number_total             9663
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7711889--7711894.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7711894
_shelx_shelxl_version_number     2018/3
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