High-nuclearity silver ethynide clusters containing polynucleating oxygen donor ligands.
Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing; Dalton transactions (Cambridge, England : 2003) 47 (2018) 12972–12978; doi:10.1039/c8dt02700e

data_7047344
_publ_section_title
;
 High-nuclearity silver ethynide clusters containing polynucleating oxygen
 donor ligands.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12972
_journal_page_last               12978
_journal_paper_doi               10.1039/c8dt02700e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C86 H187 Ag12 Cl O34 P6 Sn6'
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_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_update_record
;
2018-08-16 deposited with the CCDC.
2018-08-22 downloaded from the CCDC.
;
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
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_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.992
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         10751
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_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0340
_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^)+(0.0164P)^2^+13.5056P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0790
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9480
_reflns_number_total             10751
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02700e2.cif
_cod_data_source_block           Complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7047343--7047346.cif.
;
_cod_database_code               7047344
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              89711
_shelx_fab_checksum              76411