Coordination polymers built up from an s-tetrazine derived ligand and rare-earth ions: from a sequential dimensional expansion to organic-inorganic energy transfer.
Rouschmeyer, Paul; Guillou, Nathalie; Serre, Christian; Clavier, Gilles; Allain, Clémence; Devic, Thomas; Dalton transactions (Cambridge, England : 2003) 47 (2018) 10715–10720; doi:10.1039/c8dt01268g

data_7046796
_publ_section_title
;
 Coordination polymers built up from an s-tetrazine derived ligand and
 rare-earth ions: from a sequential dimensional expansion to
 organic-inorganic energy transfer.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10715
_journal_page_last               10720
_journal_paper_doi               10.1039/c8dt01268g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         C6H6N4O6
_chemical_formula_sum            'C6 H6 N4 O6'
_chemical_formula_weight         230.15
_chemical_name_common            H2OTz
_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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-05-31 deposited with the CCDC.
2018-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_volume                     439.71(3)
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_l_max       15
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_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_diffrn_reflns_theta_max         38.602
_diffrn_reflns_theta_min         3.007
_exptl_absorpt_coefficient_mu    0.157
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_description       prism
_exptl_crystal_F_000             236
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.160
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0773P)^2^+0.0252P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1337
_refine_ls_wR_factor_ref         0.1479
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1784
_reflns_number_total             2491
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01268g2.cif
_cod_data_source_block           H2OTz
_cod_depositor_comments
'Adding full bibliography for 7046794--7046797.cif.'
_cod_database_code               7046796
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.962
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_shelx_res_checksum              60834