Instability of metal 1,3-benzodi(thiophosphinoyl)methandiide complexes: formation of hafnium, tin and zirconium complexes of 1,3-benzodi(thiophosphinoyl)thioketone dianionic ligand [1,3-C6H4(PhPS)2CS](2.).
Yang, Ya-Xiu; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai; Dalton transactions (Cambridge, England : 2003) 44 (2015) 12633–12639; doi:10.1039/c5dt01212k

data_7035240
_publ_section_title
;
 Instability of metal 1,3-benzodi(thiophosphinoyl)methandiide complexes:
 formation of hafnium, tin and zirconium complexes of
 1,3-benzodi(thiophosphinoyl)thioketone dianionic ligand
 [1,3-C6H4(PhPS)2CS](2.).
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12633
_journal_page_last               12639
_journal_paper_doi               10.1039/c5dt01212k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C46 H41 N P4 S5 Zr, C7 H8'
_chemical_formula_sum            'C53 H49 N P4 S5 Zr'
_chemical_formula_weight         1075.33
_space_group_crystal_system      triclinic
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-05-18 deposited with the CCDC.
2015-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                82.3140(10)
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_cell_angle_gamma                86.6900(10)
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_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      35.10
_cell_measurement_theta_min      2.28
_cell_volume                     2518.19(8)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_laue_measured_fraction_full 0.986
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_diffrn_reflns_limit_l_max       24
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_diffrn_reflns_point_group_measured_fraction_full 0.986
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_diffrn_reflns_theta_max         36.480
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         23545
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0424P)^2^+0.7057P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.1044
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17741
_reflns_number_total             23545
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01212k2.cif
_cod_data_source_block           scw781s
_cod_depositor_comments
'Adding full bibliography for 7035237--7035241.cif.'
_cod_database_code               7035240
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_shelx_estimated_absorpt_t_min   0.798
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