Light harvesting indolyl-substituted phosphoramide ligand for the enhancement of Mn(ii) luminescence.
Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca; Dalton transactions (Cambridge, England : 2003) 49 (2020) 7525–7534; doi:10.1039/d0dt01659d

data_7704486
_publ_section_title
;
 Light harvesting indolyl-substituted phosphoramide ligand for the
 enhancement of Mn(ii) luminescence.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7525
_journal_page_last               7534
_journal_paper_doi               10.1039/d0dt01659d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C24 H36 Br2 Mn N6 O2 P2'
_chemical_formula_weight         717.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-28 deposited with the CCDC.	2020-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.319(2)
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_cell_length_c                   19.0025(9)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.46
_cell_volume                     3098.1(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Incoatec HeliosTM multilayer optics'
_diffrn_radiation_source         'Incoatec high brillance I\muS microsource'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         28.368
_diffrn_reflns_theta_min         2.357
_exptl_absorpt_coefficient_mu    3.140
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_description       prism
_exptl_crystal_F_000             1452
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_exptl_crystal_size_min          0.121
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_refine_diff_density_min         -0.747
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         7731
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0302
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0269P)^2^+3.1243P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
_refine_ls_wR_factor_ref         0.0680
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6776
_reflns_number_total             7731
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01659d3.cif
_cod_data_source_block           32043402_0m_a
_cod_depositor_comments
'Adding full bibliography for 7704484--7704486.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7704486
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.492
_shelx_estimated_absorpt_t_max   0.702
_shelx_res_checksum              79374