Luminescent dirhenium(i)-double-heterostranded helicate and mesocate.
Shankar, Bhaskaran; Sahu, Saugata; Deibel, Naina; Schweinfurth, David; Sarkar, Biprajit; Elumalai, Palani; Gupta, Deepak; Hussain, Firasat; Krishnamoorthy, Govindarajan; Sathiyendiran, Malaichamy; Inorganic chemistry 53 (2014) 922–930; doi:10.1021/ic4023135

data_4337143
_publ_section_title
;
 Luminescent dirhenium(i)-double-heterostranded helicate and mesocate.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              922
_journal_page_last               930
_journal_paper_doi               10.1021/ic4023135
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C65 H48 N8 O8 Re2'
_chemical_formula_weight         1441.51
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                83.977(5)
_cell_angle_beta                 74.106(5)
_cell_angle_gamma                69.732(5)
_cell_formula_units_Z            2
_cell_length_a                   12.302(5)
_cell_length_b                   15.165(5)
_cell_length_c                   18.904(5)
_cell_measurement_temperature    173(2)
_cell_volume                     3181.7(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0646
_diffrn_reflns_av_sigmaI/netI    0.0730
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            45411
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    3.859
_exptl_absorpt_correction_T_max  0.6338
_exptl_absorpt_correction_T_min  0.4839
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         3.954
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         12062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_gt           0.0886
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1085P)^2^+32.8478P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2306
_refine_ls_wR_factor_ref         0.2474
_reflns_number_gt                8977
_reflns_number_total             12062
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4023135_si_003.cif
_cod_data_source_block           shelxl
_cod_database_code               4337143