Synthesis, characterisation and photophysical studies of leucotriarylmethanes-containing ligands and their rhenium(I) tricarbonyl diimine complexes.
Ko, Chi-Chiu; Ng, Chi-On; Feng, Hua; Chu, Wing-Kin; Dalton transactions (Cambridge, England : 2003) 39 (2010) 6475–6482; doi:10.1039/b927167h

data_7025351
_publ_section_title
;
 Synthesis, characterisation and photophysical studies of
 leucotriarylmethanes-containing ligands and their rhenium(I) tricarbonyl
 diimine complexes.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6475
_journal_page_last               6482
_journal_paper_doi               10.1039/b927167h
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C38 H32 F6 N6 O3 P Re'
_chemical_formula_sum            'C38 H32 F6 N6 O3 P Re'
_chemical_formula_weight         951.88
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 128.189(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7916(4)
_cell_length_b                   11.0807(3)
_cell_length_c                   26.4430(7)
_cell_measurement_reflns_used    5598
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.0723
_cell_measurement_theta_min      3.145
_cell_volume                     3867.0(2)
_computing_cell_refinement       'CrysAlisPro (Oxford, 2009)'
_computing_data_collection       'CrysAlisPro (Oxford, 2009)'
_computing_data_reduction        'CrysAlisPro (Oxford, 2009)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type
'Goniometer Xcalibur, detector: Sapphire3 (Gemini ultra Mo)'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_sigmaI/netI    0.0945
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13037
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    3.257
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77101
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.31 (release 08-01-2009 CrysAlis171 .NET)
(compiled Jan 8 2009,16:24:04)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1880
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.479
_refine_diff_density_min         -0.895
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.846
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         6579
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                3976
_reflns_number_total             6579
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b927167h.txt
_cod_data_source_block           Complex_2
_cod_original_cell_volume        3867.04(17)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7025351