Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.
Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping; Dalton transactions (Cambridge, England : 2003) 44 (2015) 130–137; doi:10.1039/c4dt02725f

data_7032788
_publ_section_title
;
 Solvent effect-driven assembly of W/Cu/S cluster-based coordination
 polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN:
 isolation, structures and enhanced NLO responses.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1039/c4dt02725f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C42 H58 B2 Cu8 N20 O2 S6 W2, 2(C3 H7 N O)'
_chemical_formula_sum            'C48 H72 B2 Cu8 N22 O4 S6 W2'
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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'
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;
2014-09-28 # Formatted by publCIF

;
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_diffrn_measurement_device_type  'Rigaku Mercury'
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_diffrn_reflns_av_R_equivalents  0.0584
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_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_standards_interval_time  0
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_exptl_absorpt_correction_T_min  0.561
_exptl_absorpt_correction_type   multi-scan
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_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0894
_refine_ls_R_factor_gt           0.0701
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0938P)^2^+17.8045P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1689
_refine_ls_wR_factor_ref         0.1862
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6191
_reflns_number_total             7673
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7032785--7032788.cif.'
_cod_original_cell_volume        2104.0(9)
_cod_database_code               7032788
_publcif_datablock.id            {799b7e00-cb44-49ac-982b-6547c8957cde}
_shelx_estimated_absorpt_t_min   0.527
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_shelxl_version_number           2013-2
_shelx_res_checksum              41110
_shelx_fab_checksum              18713