Norharmane rhenium(i) polypyridyl complexes: synthesis, structural and spectroscopic characterization.
Maisuls, Iván; Wolcan, Ezequiel; Piro, Oscar E.; Etcheverría, Gustavo A; Petroselli, Gabriela; Erra-Ballsels, Rosa; Cabrerizo, Franco M.; Ruiz, Gustavo T.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17064–17074; doi:10.1039/c5dt02790j

data_7036408
_publ_section_title
;
 Norharmane rhenium(i) polypyridyl complexes: synthesis, structural and
 spectroscopic characterization.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17064
_journal_page_last               17074
_journal_paper_doi               10.1039/c5dt02790j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C27 H16 F3 N4 O6 Re S'
_chemical_formula_weight         767.70
_chemical_name_systematic
'fac-tricarbonyl(1,10 phenanthroline)(9H-pyrido[3,4-b]indole)rhenium(I) trifluoromethanesulfonate hemihydrate'
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_audit_update_record
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2015-08-31 deposited with the CCDC.
2015-09-07 downloaded from the CCDC.
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_cell_angle_alpha                90
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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(compiled Jan 14 2014,18:38:05)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            yellow
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'Re-crystallisation from solvent: Dichloromethane'
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_platon_squeeze_details
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0436P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4988
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02790j2.cif
_cod_data_source_block           '[Re(CO)3(phen)(nHo)(CO)3]CF3SO3'
_cod_depositor_comments
'Adding full bibliography for 7036408--7036409.cif.'
_cod_database_code               7036408
_shelx_estimated_absorpt_t_min   0.324
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