Coordinated Aqua vs Methanol Substitution Kinetics in fac-Re(I) Tricarbonyl Tropolonato Complexes
Marietjie Schutte; Andreas Roodt; Hendrik G. Visser; Inorganic Chemistry 51 (2012) 11996–12006; doi:10.1021/ic301891u

data_4330964
_publ_section_title
;
 Coordinated Aqua vs Methanol Substitution Kinetics in fac-Re(I)
 Tricarbonyl Tropolonato Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11996
_journal_page_last               12006
_journal_paper_doi               10.1021/ic301891u
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
'C7 H17 N, C20 H10 O12 Re2, N O3, C H3, H4 O2'
_chemical_formula_sum            'C28 H34 N2 O17 Re2'
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_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_computing_cell_refinement       'CrysAlisPro (Oxford, 2011)'
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_diffrn_ambient_temperature      183(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Xcalibur, Ruby'
_diffrn_measurement_method       '\o oscillation scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) x-ray Source'
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_diffrn_reflns_limit_l_min       -15
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4481
_refine_ls_number_restraints     5
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_refine_ls_R_factor_all          0.0866
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0507P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2\s(I)
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_cod_data_source_block           ms070911t_twin1_hklf4
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