From ligand exchange to reaction intermediates: what does really happen during the synthesis of emissive complexes?
Polzin, P.; V Eliani, I; Ströh, J; Braun, M.; Ruser, N.; Heidenreich, N.; Rönfeldt, P; Bertram, F.; Näther, C; Wöhlbrandt, S; Suta, M.; Terraschke, H.; Physical chemistry chemical physics : PCCP 20 (2018) 7428–7437; doi:10.1039/c7cp07142f

data_7229765
_publ_section_title
;
 From ligand exchange to reaction intermediates: what does really happen
 during the synthesis of emissive complexes?
;
_journal_issue                   11
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              7428
_journal_page_last               7437
_journal_paper_doi               10.1039/c7cp07142f
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C34 H24 Eu N9 O9'
_chemical_formula_weight         854.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-09-04 deposited with the CCDC.
2017-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.021(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5871(3)
_cell_length_b                   15.7676(3)
_cell_length_c                   17.0644(4)
_cell_measurement_reflns_used    26275
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.005
_cell_measurement_theta_min      2.248
_cell_volume                     3312.48(13)
_computing_cell_refinement       'X-Area (STOE, 2008)'
_computing_data_collection       'X-Area (STOE, 2008)'
_computing_data_reduction        'X-Area (STOE, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  IPDS-2
_diffrn_measurement_method       'Omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26275
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.005
_diffrn_reflns_theta_min         2.248
_exptl_absorpt_coefficient_mu    1.965
_exptl_absorpt_correction_T_max  0.8046
_exptl_absorpt_correction_T_min  0.5247
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red and X-Shape (STOE)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_description       block
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.977
_refine_diff_density_min         -1.171
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       0.00129(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4013
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0319
_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^)+(0.0590P)^2^+2.5819P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0864
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3748
_reflns_number_total             4013
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cp07142f2.cif
_cod_data_source_block           js009
_cod_depositor_comments          'Adding full bibliography for 7229765.cif.'
_cod_database_code               7229765
_shelxl_version_number           2014-3
_shelx_res_checksum              5861