NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture
Brian M. Barry; Diane A. Dickie; Luke J. Murphy; Jason A. C. Clyburne; Richard A. Kemp; Inorganic Chemistry 52 (2013) 8312–8314; doi:10.1021/ic401498r

data_4335688
_publ_section_title
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 NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8312
_journal_page_last               8314
_journal_paper_doi               10.1021/ic401498r
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C30 H28 B F14 N P2'
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_cell_length_c                   10.599(2)
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_correction_T_max  0.9544
_exptl_absorpt_correction_T_min  0.9143
_exptl_absorpt_correction_type   multi-scan
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_R_factor_all          0.1511
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0290P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
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_reflns_number_gt                3128
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_cod_data_source_file            ic401498r_si_002_3.cif
_cod_data_source_block           5
_cod_depositor_comments
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The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
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_cod_original_cell_volume        1557.1(5)
_cod_database_code               4335688