Copper(i) halide polymers derived from tris[2-(pyridin-2-yl)ethyl]phosphine: halogen-tunable colorful luminescence spanning from deep blue to green
Artem’ev, Alexander V.; Baranov, Andrey Yu.; Rakhmanova, Mariana I.; Malysheva, Svetlana F.; Samsonenko, Denis G.; New Journal of Chemistry 44 (2020) 6916–6922; doi:10.1039/D0NJ00894J

data_7059463
_publ_section_title
;
 Copper(i) halide polymers derived from
 tris[2-(pyridin-2-yl)ethyl]phosphine: halogen-tunable colorful
 luminescence spanning from deep blue to green
;
_journal_issue                   17
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6916
_journal_page_last               6922
_journal_paper_doi               10.1039/D0NJ00894J
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C22 H25.5 Cu2 I2 N3.5 P'
_chemical_formula_weight         750.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-02-07 deposited with the CCDC.	2020-04-01 downloaded from the CCDC.
;
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_cell_measurement_temperature    130(2)
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_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'ShelXle (H\"ubschle, 2011)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
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_diffrn_ambient_temperature      130(2)
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_diffrn_detector_area_resol_mean 10.6
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_av_unetI/netI     0.0366
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12408
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_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.987
_exptl_crystal_description       plate
_exptl_crystal_F_000             722
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: MeCN'
_exptl_crystal_size_max          0.25
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_refine_diff_density_max         0.654
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_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0207P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0502
_refine_ls_wR_factor_ref         0.0526
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5532
_reflns_number_total             6409
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj00894j2.cif
_cod_data_source_block           anb55
_cod_depositor_comments
;Adding full bibliography for 7059463.cif.

 Adding full bibliography for 7059463.cif.
;
_cod_original_cell_volume        1254.92(9)
_cod_database_code               7059463
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.417
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_shelx_res_checksum              1509