Crystal structure of diethanol-κ1 O-bis(μ2-N-((2-oxidonaphthalen-1-yl)methylene)pyrazine-2-carbohydrazonato-κ5 N,O,O′:O′:N′)-bis(nitrato-κ2 O,O′)dieuropium(III), C36H32N10O12Eu2
Yan, Jin-Long; Zeitschrift für Kristallographie - New Crystal Structures 235 (2020) 541–542; doi:10.1515/ncrs-2019-0772

data_8105165
_publ_section_title
;
 Crystal structure of diethanol-\k1
 O-bis(\m2-N-((2-oxidonaphthalen-1-yl)methylene)pyrazine-2-carbohydrazonato-\k5
 N,O,O&#x2032;:O&#x2032;:N&#x2032;)-bis(nitrato-\k2
 O,O&#x2032;)dieuropium(III), C36H32N10O12Eu2
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              541
_journal_page_last               542
_journal_paper_doi               10.1515/ncrs-2019-0772
_journal_volume                  235
_journal_year                    2020
_chemical_formula_sum            'C36 H32 Eu2 N10 O12'
_chemical_formula_weight         1100.63
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 100.115(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.445(2)
_cell_length_b                   10.0920(14)
_cell_length_c                   23.865(3)
_cell_measurement_reflns_used    8175
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      74.70
_cell_measurement_theta_min      3.76
_cell_volume                     3899.1(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0935
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            18243
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.828
_diffrn_reflns_theta_min         3.763
_exptl_absorpt_coefficient_mu    23.454
_exptl_absorpt_correction_T_max  0.650
_exptl_absorpt_correction_T_min  0.204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_description       plate
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.215
_refine_diff_density_min         -2.146
_refine_diff_density_rms         0.241
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0687
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0861P)^2^+115.8538P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1736
_refine_ls_wR_factor_ref         0.2065
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3025
_reflns_number_total             3918
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2019-0772_suppl.cif
_cod_data_source_block           sm_wy_y11_0m
_cod_original_cell_volume        3899.3(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8105165
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.203
_shelx_estimated_absorpt_t_max   0.651