Barium phosphidoboranes and related calcium complexes.
Duneş, Gabriel; Chapple, Peter M.; Kahlal, Samia; Roisnel, Thierry; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann; Dalton transactions (Cambridge, England : 2003) 53 (2024) 6892–6905; doi:10.1039/d4dt00487f

data_7715493
_publ_section_title
;
 Barium phosphidoboranes and related calcium complexes.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6892
_journal_page_last               6905
_journal_paper_doi               10.1039/d4dt00487f
_journal_volume                  53
_journal_year                    2024
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C66 H84 Ba N3 O2 P, 3(C4 H8 O)'
_chemical_formula_sum            'C78 H108 Ba N3 O5 P'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_primary     dual
_audit_update_record
;
2024-03-18 deposited with the CCDC.	2024-03-21 downloaded from the CCDC.
;
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;
   'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2020)'
;
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_diffrn_ambient_temperature      150(2)
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_diffrn_orient_matrix_UB_33      -0.0107923
_diffrn_radiation_monochromator  'multilayer monochromator'
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_type   multi-scan
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;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_description       plate
_exptl_crystal_F_000             1416
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_exptl_crystal_size_min          0.050
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_refine_ls_extinction_method     none
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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^)+(0.0020P)^2^+78.2551P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2917
_reflns_number_gt                12301
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d4dt00487f2.cif
_cod_data_source_block           1THF2
_cod_depositor_comments
'Adding full bibliography for 7715491--7715494.cif.'
_cod_original_cell_volume        3568.1(8)
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