Variable dimensionality in 'hollow' hybrid tin iodide perovskites.
McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Dalton transactions (Cambridge, England : 2003) 49 (2020) 15171–15174; doi:10.1039/d0dt03449e

data_7706303
_publ_section_title
;
 Variable dimensionality in 'hollow' hybrid tin iodide perovskites.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15171
_journal_page_last               15174
_journal_paper_doi               10.1039/d0dt03449e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C6 N9 H12 Sn2  I7'
_chemical_formula_sum            'C6 H12 I7 N9 Sn2'
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_chemical_properties_physical    Air-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-09-08 deposited with the CCDC.	2020-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                91.42(3)
_cell_angle_beta                 93.54(3)
_cell_angle_gamma                90.10(3)
_cell_formula_units_Z            2
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_cell_length_b                   14.2301(10)
_cell_length_c                   14.680(11)
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_cell_measurement_theta_max      27.1
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_computing_cell_refinement
'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
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'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       'profile data from \w-scans'
_diffrn_radiation_type           MoK\a
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_diffrn_source                   'Rotating Anode'
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_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4679
_refine_ls_wR_factor_ref         0.4900
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3278
_reflns_number_total             4844
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03449e2.cif
_cod_data_source_block           3TzHSn2I7
_cod_depositor_comments
;
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/current/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 
;
_cod_original_formula_sum        'C6 N9 H12 I7 Sn2'
_cod_database_code               7706303
_shelx_estimated_absorpt_t_min   1.000
_shelx_estimated_absorpt_t_max   0.454
_shelx_res_checksum              50974