1D hetero-bimetallic regularly alternated 4f-3d coordination polymers based on N-oxide-4,4'-bipyridine (bipyMO) as a linker: photoluminescence and magnetic properties.
Armelao, Lidia; Belli Dell'Amico, Daniela; Bottaro, Gregorio; Bellucci, Luca; Labella, Luca; Marchetti, Fabio; Mattei, Carlo Andrea; Mian, Federica; Pineider, Francesco; Poneti, Giordano; Samaritani, Simona; Dalton transactions (Cambridge, England : 2003) 47 (2018) 8337–8345; doi:10.1039/c8dt00880a

data_7046500
_publ_section_title
;
 1D hetero-bimetallic regularly alternated 4f-3d coordination polymers
 based on N-oxide-4,4'-bipyridine (bipyMO) as a linker: photoluminescence
 and magnetic properties.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8337
_journal_page_last               8345
_journal_paper_doi               10.1039/c8dt00880a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C45 H21 Cu Eu F30 N4 O12'
_chemical_formula_sum            'C45 H21 Cu Eu F30 N4 O12'
_chemical_formula_weight         1595.16
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-04 deposited with the CCDC.
2018-05-31 downloaded from the CCDC.
;
_cell_angle_alpha                80.448(2)
_cell_angle_beta                 73.862(2)
_cell_angle_gamma                65.595(2)
_cell_formula_units_Z            2
_cell_length_a                   13.5009(8)
_cell_length_b                   13.9971(8)
_cell_length_c                   17.0203(9)
_cell_measurement_reflns_used    9679
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.35
_cell_measurement_theta_min      2.48
_cell_volume                     2808.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0190
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            97537
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.500
_diffrn_reflns_theta_min         2.086
_exptl_absorpt_coefficient_mu    1.647
_exptl_absorpt_correction_T_max  0.6946
_exptl_absorpt_correction_T_min  0.5058
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS-2016/2'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_description       Table
_exptl_crystal_F_000             1554
_exptl_crystal_size_max          0.428
_exptl_crystal_size_mid          0.312
_exptl_crystal_size_min          0.152
_refine_diff_density_max         2.963
_refine_diff_density_min         -0.687
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     864
_refine_ls_number_reflns         11621
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0774P)^2^+9.0146P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1337
_refine_ls_wR_factor_ref         0.1576
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8790
_reflns_number_total             11621
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00880a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7046500.cif.
;
_cod_database_code               7046500
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.539
_shelx_estimated_absorpt_t_max   0.788
_shelx_res_checksum              25757