Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.
Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy; Inorganic chemistry 54 (2015) 1337–1345; doi:10.1021/ic502207f

data_4342253
_publ_section_title
;
 Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural
 Metal-Organic Frameworks Based on Cu6I6 Clusters.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1337
_journal_page_last               1345
_journal_paper_doi               10.1021/ic502207f
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C56 H42 Cu6 I6 N6 Si2'
_chemical_formula_weight         1997.77
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      trigonal
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_symmetry_space_group_name_Hall  '-R 3'
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Smart Apex Duo'
_diffrn_measurement_method       'Omega and Phi Scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -44
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_diffrn_reflns_theta_min         1.919
_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
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_exptl_crystal_density_diffrn    2.210
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_refine_ls_number_reflns         3263
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_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0660
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_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0257P)^2^+20.1484P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             3263
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4342249--4342255.cif.'
_cod_original_cell_volume        4503.8(16)
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