The crystal structure of fac-tricarbonyl(N-benzoyl-N,N-cyclohexylmethylcarbamimidothioato-κ2 S,O)-(pyridine-κN)rhenium(I), C23H24N3O4ReS
Makhakhayi, Luleka; Malan, Frederick P.; Tembu, Vuyelwa J.; Nkambule, Comfort M.; Manicum, Amanda-Lee E.; Zeitschrift für Kristallographie - New Crystal Structures 238 (2023) 697–699; doi:10.1515/ncrs-2023-0157

data_8107534
_publ_section_title
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 The crystal structure of
 fac-tricarbonyl(N-benzoyl-N,N-cyclohexylmethylcarbamimidothioato-\k2
 S,O)-(pyridine-\kN)rhenium(I), C23H24N3O4ReS
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_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              697
_journal_page_last               699
_journal_paper_doi               10.1515/ncrs-2023-0157
_journal_volume                  238
_journal_year                    2023
_chemical_formula_moiety         'C23 H24 N3 O4 Re S'
_chemical_formula_sum            'C23 H24 N3 O4 Re S'
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_diffrn_reflns_av_unetI/netI     0.0370
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_diffrn_reflns_theta_min         2.429
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;
CrysAlisPro 1.171.41.123a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            yellow
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_refine_diff_density_max         1.516
_refine_diff_density_min         -0.998
_refine_diff_density_rms         0.136
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0148P)^2^+14.9552P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     .
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