[1,2,4]Triazolo[4,3-a]Pyridines as Bridging Ligands-Magnetism of Azole-Bridged Dinuclear Copper(II) Complexes Influenced by the Trigonal Distortion Parameter τ.
Kaase, Dominic; Gotzmann, Carla; Rein, Stephan; Lan, Yanhua; Kacprzak, Sylwia; Klingele, Julia; Inorganic chemistry 53 (2014) 5546–5555; doi:10.1021/ic500226z

data_4338439
_publ_section_title
;
 [1,2,4]Triazolo[4,3-a]Pyridines as Bridging Ligands-Magnetism of
 Azole-Bridged Dinuclear Copper(II) Complexes Influenced by the Trigonal
 Distortion Parameter \t.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5546
_journal_page_last               5555
_journal_paper_doi               10.1021/ic500226z
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety
;
 C12 H10 N4
;
_chemical_formula_sum            'C12 H10 N4'
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_cell_length_a                   7.0841(2)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.41
_cell_volume                     1012.20(6)
_computing_data_collection       'Bruker APEX2'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker APEX2 CCD area detector'
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_diffrn_radiation_monochromator  'multilayer mirror optics'
_diffrn_radiation_source         'microfocused sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0264
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_exptl_absorpt_coefficient_mu    0.088
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_exptl_absorpt_correction_T_min  0.9783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.574
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0684P)^2^+0.1445P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1232
_refine_ls_wR_factor_ref         0.1328
_reflns_number_gt                4417
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_reflns_threshold_expression     >2sigma(I)
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'Adding full bibliography for 4338438--4338442.cif.'
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4338439