A one-dimensional infinite silver alkynyl assembly [Ag8(CCtBu)5(CF3COO)3(CH3CN)]n: synthesis, crystal structure and properties
Shi, Ju-Feng; Chen, Zhi-Jin; Zhang, Liu-Jie; Zhou, Kun; Ji, Jiu-Yu; Bi, Yan-Feng; RSC Advances 10 (2020) 16045–16049; doi:10.1039/D0RA01703E

data_7240381
_publ_section_title
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 A one-dimensional infinite silver alkynyl assembly
 [Ag8(C&#xE002;CtBu)5(CF3COO)3(CH3CN)]n: synthesis, crystal structure and
 properties
;
_journal_issue                   27
_journal_name_full               'RSC Advances'
_journal_page_first              16045
_journal_page_last               16049
_journal_paper_doi               10.1039/D0RA01703E
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C38 H48 Ag8 F9 N O6'
_chemical_formula_weight         1648.73
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-04-05 deposited with the CCDC.	2020-04-07 downloaded from the CCDC.
;
_cell_angle_alpha                101.9000(10)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.0277
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_cell_volume                     2520.9(2)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       '\f & \w with fast scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_av_unetI/netI     0.0235
_diffrn_reflns_Laue_measured_fraction_full 0.991
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_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21064
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.028
_diffrn_reflns_theta_max         25.028
_diffrn_reflns_theta_min         2.353
_exptl_absorpt_coefficient_mu    3.112
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Block
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_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.360
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_refine_diff_density_max         0.783
_refine_diff_density_min         -0.808
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8831
_refine_ls_number_restraints     145
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0264
_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^)+(0.0280P)^2^+3.5034P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0654
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7628
_reflns_number_total             8831
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra01703e2.cif
_cod_data_source_block           Compound_1
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' 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 7240381.cif.
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_cod_database_code               7240381
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.377
_shelx_estimated_absorpt_t_max   0.400
_shelx_res_checksum              71028