Phosphido-bis(borane) complexes of the alkaline earth metals.
Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William; Dalton transactions (Cambridge, England : 2003) 50 (2021) 1019–1024; doi:10.1039/d0dt03895d

data_7706210
_publ_section_title
;
 Phosphido-bis(borane) complexes of the alkaline earth metals.
;
_journal_issue                   3
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'Dalton transactions (Cambridge, England : 2003)'
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_journal_page_last               1024
_journal_paper_doi               10.1039/d0dt03895d
_journal_volume                  50
_journal_year                    2021
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_chemical_formula_sum            'C46 H100 B4 Mg O5 P2 Si4'
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2020-12-03 deposited with the CCDC.	2020-12-14 downloaded from the CCDC.
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
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'Oxford Diffraction Gemini A Ultra diffractometer'
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.980
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_diffrn_reflns_number            8741
_diffrn_reflns_point_group_measured_fraction_full 0.980
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_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2136
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene and THF'
_exptl_crystal_size_max          0.300
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_refine_ls_number_reflns         4732
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_refine_ls_R_factor_all          0.0373
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0577P)^2^+4.0215P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4299
_reflns_number_total             4732
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7706210--7706214.cif.'
_cod_original_cell_volume        6092.90(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7706210
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.617
_shelx_estimated_absorpt_t_max   0.842
_shelx_res_checksum              26094
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