An organometallic complex revealing an unexpected, reversible, temperature induced SC–SC transformation
Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.; CrystEngComm 16 (2014) 4641–; doi:10.1039/c4ce00070f

data_7215256
_publ_section_title
;
 An organometallic complex revealing an unexpected, reversible,
 temperature induced SC--SC transformation
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              4641
_journal_paper_doi               10.1039/c4ce00070f
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C26 H17 F3 I N4 O7 Re S'
_chemical_formula_sum            'C26 H17 F3 I N4 O7 Re S'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_volume                     2952.69(19)
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_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       CCD
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_diffrn_reflns_Laue_measured_fraction_full 0.980
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_diffrn_reflns_point_group_measured_fraction_full 0.980
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_diffrn_reflns_theta_max         27.389
_diffrn_reflns_theta_min         2.232
_exptl_absorpt_coefficient_mu    5.301
_exptl_absorpt_correction_T_max  0.816
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Denzo/Scalepack
_exptl_crystal_colour            orange
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_exptl_crystal_description       plate
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_refine_ls_R_factor_all          0.1073
_refine_ls_R_factor_gt           0.0607
_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^)+(0.0735P)^2^+9.8764P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6477
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7215250--7215263.cif.'
_cod_database_code               7215256
_shelx_estimated_absorpt_t_min   0.232
_shelx_estimated_absorpt_t_max   0.816
_shelxl_version_number           2013-4
_shelx_res_checksum              36429