First use of a divalent lanthanide for visible-light-promoted photoredox catalysis.
Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J.; Chemical science 9 (2018) 1273–1278; doi:10.1039/c7sc02479g

data_1548531
_publ_section_title
;
 First use of a divalent lanthanide for visible-light-promoted photoredox
 catalysis.
;
_journal_issue                   5
_journal_name_full               'Chemical science'
_journal_page_first              1273
_journal_page_last               1278
_journal_paper_doi               10.1039/c7sc02479g
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C18 H42 Eu N8, Cl4 Zn, C H4 O'
_chemical_formula_sum            'C19 H46 Cl4 Eu N8 O Zn'
_chemical_formula_weight         761.77
_chemical_properties_physical    ', Air-sensitive'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2017-03-23
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.02 svn.r3394 for OlexSys, GUI svn.r5324)
;
_audit_update_record
;
2017-03-23 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.9858(10)
_cell_length_b                   18.4496(10)
_cell_length_c                   18.8816(11)
_cell_measurement_reflns_used    9922
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      40.91
_cell_measurement_theta_min      2.47
_cell_volume                     5917.1(6)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.1
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            629649
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         46.135
_diffrn_reflns_theta_min         1.954
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.300
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_description       cube
_exptl_crystal_F_000             3080
_exptl_crystal_preparation       ', Luminescent'
_refine_diff_density_max         2.430
_refine_diff_density_min         -1.503
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         25484
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0190P)^2^+4.1766P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0526
_refine_ls_wR_factor_ref         0.0625
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17311
_reflns_number_total             25484
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7sc02479g2.cif
_cod_data_source_block           znreduced_europium_aza222_pbca
_cod_depositor_comments          'Adding full bibliography for 1548531.cif.'
_cod_database_code               1548531
_shelx_shelxl_version_number     2014/7
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Others
 Fixed Sof: N4(0.8) C16A(0.8) H16A(0.8) H16B(0.8) C15A(0.8) H15A(0.8)
 H15B(0.8) C15B(0.2) H15C(0.2) H15D(0.2) C16B(0.2) H16C(0.2) H16D(0.2) N9(0.2)
3.a Ternary CH refined with riding coordinates:
 N6(H6), N5(H5), N3(H3), N2(H2), N4(H4), N7(H7)
3.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C1(H1A,H1B), C10(H10A,H10B), C13(H13A,
 H13B), C3(H3A,H3B), C17(H17A,H17B), C4(H4A,H4B), C2(H2A,H2B), C12(H12A,H12B),
 C5(H5A,H5B), C18(H18A,H18B), C14(H14A,H14B), C11(H11A,H11B), C6(H6A,H6B),
 C16A(H16A,H16B), C15A(H15A,H15B), C15B(H15C,H15D), C16B(H16C,H16D)
3.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C)
3.d Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_shelx_res_checksum              91592
_olex2_submission_special_instructions 'No special instructions were received'