Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.
Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng; Dalton transactions (Cambridge, England : 2003) 49 (2020) 9751–9761; doi:10.1039/d0dt00037j

data_7704754
_publ_section_title
;
 Synthesis, crystal structures, and magnetic properties of one-dimensional
 alkali metal copper chlor-tellurites
 A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub>
 (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub>
 and
 Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.
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_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9751
_journal_page_last               9761
_journal_paper_doi               10.1039/d0dt00037j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'Cl6 Cu4 H4 K N O6 Te2'
_chemical_formula_weight         875.2
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_update_record
;
2020-05-18 deposited with the CCDC.	2020-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.648(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.7465(4)
_cell_length_b                   9.1357(4)
_cell_length_c                   10.0174(5)
_cell_measurement_reflns_used    283
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.005
_cell_measurement_theta_min      3.8425
_cell_volume                     800.39(6)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       CCD
_diffrn_measurement_device_type  'Bruker Smart APEX II'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.092
_diffrn_reflns_av_unetI/netI     0.0582
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7235
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    10.089
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    3.6316
_exptl_crystal_description       transparent
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.074
_exptl_crystal_size_mid          0.054
_exptl_crystal_size_min          0.027
_refine_diff_density_max         3.68
_refine_diff_density_min         -3.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    3.38
_refine_ls_goodness_of_fit_ref   3.67
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    14
_refine_ls_number_parameters     43
_refine_ls_number_reflns         1063
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1115
_refine_ls_R_factor_gt           0.0775
_refine_ls_shift/su_max          0.0412
_refine_ls_shift/su_mean         0.0050
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                778
_reflns_number_total             1063
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d0dt00037j2.cif
_cod_data_source_block           K(NH4)Cu4Te2Cl6O6
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704752--7704755.cif.
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_cod_original_formula_sum        'Cl6 Cu4 H4 K1 N1 O6 Te2'
_cod_database_code               7704754