A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.
Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane; Dalton transactions (Cambridge, England : 2003) 49 (2020) 15602–15606; doi:10.1039/d0dt03105d

data_7705706
_publ_section_title
;
 A polymorphic pentiptycene-containing gold(I) isocyanide complex:
 solvent- and conformation-dependent supramolecular luminescence.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15602
_journal_page_last               15606
_journal_paper_doi               10.1039/d0dt03105d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C98 H84 Au2 N2 O2'
_chemical_formula_weight         1715.60
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-07-20 deposited with the CCDC.	2020-10-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.2496
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_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_radiation_type           CuK\a
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; 
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_density_diffrn    1.540
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_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2536
_refine_ls_wR_factor_ref         0.2985
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3404
_reflns_number_total             6717
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1G
_cod_depositor_comments
'Adding full bibliography for 7705704--7705707.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
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