Solvent-induced single-crystal-to-single-crystal transformation and tunable magnetic properties of 1D azido-Cu(ii) chains with a carboxylate bridge.
Liu, Xiangyu; Ma, Xiufang; Yang, Jinhui; Luo, Shuchang; Wang, Zheng; Ferrando-Soria, Jesús; Ma, Yulong; Shi, Quan; Pardo, Emilio; Dalton transactions (Cambridge, England : 2003) 48 (2019) 11268–11277; doi:10.1039/c9dt02031d

data_7700345
_publ_section_title
;
 Solvent-induced single-crystal-to-single-crystal transformation and
 tunable magnetic properties of 1D azido-Cu(ii) chains with a carboxylate
 bridge.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11268
_journal_page_last               11277
_journal_paper_doi               10.1039/c9dt02031d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C7 H4 Cu N6 O2'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-02-26 deposited with the CCDC.    2019-06-24 downloaded from the CCDC.
;
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_cell_angle_gamma                101.571(9)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.93
_cell_measurement_theta_min      2.98
_cell_volume                     448.3(4)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.976
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0207
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_diffrn_reflns_Laue_measured_fraction_full 0.976
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_diffrn_reflns_theta_max         25.345
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_exptl_absorpt_coefficient_mu    2.429
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            green
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_refine_ls_R_factor_all          0.0846
_refine_ls_R_factor_gt           0.0610
_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^)+(0.1465P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_gt          0.1955
_refine_ls_wR_factor_ref         0.2210
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1167
_reflns_number_total             1611
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           xb8008_0m
_cod_depositor_comments
'Adding full bibliography for 7700345--7700347.cif.'
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