Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.
Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16126–16131; doi:10.1039/c8dt03072c

data_7047880
_publ_section_title
;
 Halide and substituent dependent structural variation in copper(i) halide
 complexes of 1,5,9-triphosphacyclododecanes.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16126
_journal_page_last               16131
_journal_paper_doi               10.1039/c8dt03072c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C15 H33 Cl2 Cu2 P3'
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_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2018-10-24 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Nonius Kappa CCD'
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         1.269
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_exptl_crystal_size_max          0.250
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_refine_ls_extinction_coef       0.00117(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
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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^)+(0.0410P)^2^+10.5463P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3708
_reflns_number_total             4951
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           pge1013
_cod_depositor_comments
'Adding full bibliography for 7047878--7047884.cif.'
_cod_database_code               7047880
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.581
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_shelx_res_checksum              51433