Diversified magnetic behaviors of new nickel(ii) and copper(ii) azido coordination polymers templated by diethyl or triethyl amines
Zeng, Ying; Liu, Sui-Jun; Liu, Cai-Ming; Xie, Yong-Rong; Du, Zi-Yi; New J. Chem. 41 (2017) 1212–; doi:10.1039/C6NJ03268K

data_7055922
_publ_section_title
;
 Diversified magnetic behaviors of new nickel(ii) and copper(ii) azido
 coordination polymers templated by diethyl or triethyl amines
;
_journal_issue                   3
_journal_name_full               'New J. Chem.'
_journal_page_first              1212
_journal_paper_doi               10.1039/C6NJ03268K
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C6 H16 Cu4 N28'
_chemical_formula_weight         734.63
_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
;
2016-12-18 deposited with the CCDC.
2016-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                91.6500(10)
_cell_angle_beta                 94.8840(10)
_cell_angle_gamma                91.0110(10)
_cell_formula_units_Z            2
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_cell_length_b                   11.8031(8)
_cell_length_c                   11.9525(8)
_cell_measurement_reflns_used    9066
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5487
_cell_measurement_theta_min      0.960581
_cell_volume                     1217.04(14)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0145
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9358
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_min         1.711
_exptl_absorpt_coefficient_mu    3.508
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5156
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    2.005
_exptl_crystal_description       block
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.500
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_exptl_crystal_size_min          0.180
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_refine_diff_density_min         -0.322
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_refine_ls_extinction_coef       0.0107(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.057
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4734
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0208
_refine_ls_R_factor_gt           0.0184
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0230P)^2^+0.3584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0458
_refine_ls_wR_factor_ref         0.0469
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4374
_reflns_number_total             4734
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6nj03268k2.cif
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_cod_depositor_comments
'Adding full bibliography for 7055920--7055922.cif.'
_cod_database_code               7055922
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_shelx_res_checksum              51335