Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.
Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr; Journal of the American Chemical Society 136 (2014) 6247–6250; doi:10.1021/ja502625z

data_4121713
_publ_section_title
;
 Geometrically enforced donor-facilitated dehydrocoupling leading to an
 isolable arsanylidine-phosphorane.
;
_journal_issue                   17
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6247
_journal_page_last               6250
_journal_paper_doi               10.1021/ja502625z
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C60 H80 As3 O7 P3'
_chemical_formula_sum            'C60 H80 As3 O7 P3'
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-03-07
_audit_creation_method           'by CrystalStructure 4.1'
_cell_angle_alpha                82.916(6)
_cell_angle_beta                 73.841(5)
_cell_angle_gamma                64.684(5)
_cell_formula_units_Z            2
_cell_length_a                   14.244(2)
_cell_length_b                   14.7481(19)
_cell_length_c                   16.041(2)
_cell_measurement_reflns_used    8383
_cell_measurement_temperature    93
_cell_measurement_theta_max      25.32
_cell_measurement_theta_min      3.05
_cell_volume                     2925.8(7)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 rc13'
_computing_data_collection
'CrystalClear-SM Expert 2.0 rc13 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 rc13'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2013)'
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_computing_structure_solution    SIR97
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.353
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_theta_min         3.05
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_exptl_absorpt_coefficient_mu    1.836
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_exptl_absorpt_correction_T_min  0.579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0195P)^2^+4.1648P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1184
_reflns_number_gt                5988
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja502625z_si_004.cif
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_cod_depositor_comments
'Adding full bibliography for 4121710--4121714.cif.'
_cod_original_cell_volume        2925.7(7)
_cod_database_code               4121713