Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.
Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.; CrystEngComm / RSC 2013 (2013) 4221–4224; doi:10.1039/C3CE40500A

data_7210209
_publ_section_title
;
 Stacks and clips: Uncanny similarities in the modes of self-assembly in
 tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.
;
_journal_issue                   21
_journal_name_full               'CrystEngComm / RSC'
_journal_page_first              4221
_journal_page_last               4224
_journal_paper_doi               10.1039/C3CE40500A
_journal_volume                  2013
_journal_year                    2013
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C44 H32 Ag3 N10, 3(C2 F6 N O4 S2)'
_chemical_formula_sum            'C50 H32 Ag3 F18 N13 O12 S6'
_chemical_formula_weight         1864.92
_chemical_name_systematic        ?
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_date             2013-01-23T11:16:07-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
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_cell_angle_beta                 85.209(3)
_cell_angle_gamma                69.054(3)
_cell_formula_units_Z            2
_cell_length_a                   12.850(2)
_cell_length_b                   14.293(3)
_cell_length_c                   18.304(3)
_cell_measurement_reflns_used    3246
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      41.63
_cell_measurement_theta_min      4.7
_cell_volume                     3060.5(9)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics
'PLATON (Spek, 2003) and CAMERON (Watkin et al., 1993)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD area-detector'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30926
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.5
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    1.283
_exptl_absorpt_correction_T_max  0.8408
_exptl_absorpt_correction_T_min  0.5779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.024
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       needle
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0924
_reflns_number_gt                6541
_reflns_number_total             11361
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            c3ce40500a.txt
_cod_data_source_block           platon_acc_mod
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

 Adding full bibliography for 7210209--7210212.cif.
;
_cod_original_cell_volume        3060.6(9)
_cod_database_code               7210209