Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.
Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie; Chemical communications (Cambridge, England) 56 (2020) 4769–4772; doi:10.1039/d0cc01887b

data_7126315
_publ_section_title
;
 Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin
 sulfide clusters, and its effect on optical properties.
;
_journal_issue                   35
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4769
_journal_page_last               4772
_journal_paper_doi               10.1039/d0cc01887b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C11 H8 Cl2 N2 O Zn'
_chemical_formula_sum            'C11 H8 Cl2 N2 O Zn'
_chemical_formula_weight         320.46
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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2020-03-11 deposited with the CCDC.	2020-03-30 downloaded from the CCDC.
;
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_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
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_diffrn_measured_fraction_theta_full 0.995
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_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.1115
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_diffrn_reflns_limit_l_min       -11
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_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
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_exptl_absorpt_coefficient_mu    6.812
_exptl_absorpt_correction_T_max  0.3959
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_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
'R. H. Blessing, Acta Cryst. (1995). A51, 33 - 38.'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
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_exptl_crystal_colour_primary    colourless
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_exptl_crystal_size_max          0.1
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.763
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0513P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1049
_refine_ls_wR_factor_ref         0.1115
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1108
_reflns_number_total             2150
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc01887b2.cif
_cod_data_source_block           eg075y
_cod_depositor_comments
'Adding full bibliography for 7126312--7126319.cif.'
_cod_original_cell_volume        599.38(7)
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_shelx_shelxl_version_number     2014/7
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C3(H3), C8(H8), C10(H10), C9(H9), C11(H11), C4(H4), C1(H1)
;
_shelx_res_checksum              46337
_shelx_hkl_checksum              24244
_olex2_submission_special_instructions 'No special instructions were received'