Synthesis, Structure and Dispersion In-teractions in Bis(1,8-naphtha-lendiyl)distibine
Ganesamoorthy, Chelladurai; Heimann, Stefan; Hölscher, Sandra; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan; Dalton Trans.  (2017) –; doi:10.1039/C7DT02165H

data_7043392
_publ_section_title
;
 Synthesis, Structure and Dispersion In-teractions in
 Bis(1,8-naphtha-lendiyl)distibine
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02165H
_journal_year                    2017
_chemical_formula_sum            'C20 H12 Sb2'
_chemical_formula_weight         495.80
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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-2014/7
_audit_update_record
;
2017-03-10 deposited with the CCDC.
2017-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                75.645(2)
_cell_angle_beta                 69.497(3)
_cell_angle_gamma                86.077(3)
_cell_formula_units_Z            2
_cell_length_a                   8.4505(6)
_cell_length_b                   9.0047(6)
_cell_length_c                   11.1040(7)
_cell_measurement_reflns_used    9833
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      33.19
_cell_measurement_theta_min      2.34
_cell_volume                     766.56(9)
_computing_cell_refinement       'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_data_collection       'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_data_reduction        'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_molecular_graphics    'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type
; 
 Bruker D8 KAPPA series II with APEX II area detector system
;
_diffrn_measurement_method
;
 Data collection strategy APEX 2/COSMO
;
_diffrn_radiation_monochromator  'Triumph Goebel mirror'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26589
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.225
_diffrn_reflns_theta_min         2.017
_exptl_absorpt_coefficient_mu    3.516
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 BRUKER AXS SMART APEX 2 Vers. 3.0-2009
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.148
_exptl_crystal_description       tablet
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.256
_exptl_crystal_size_mid          0.184
_exptl_crystal_size_min          0.072
_refine_diff_density_max         3.958
_refine_diff_density_min         -1.824
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         5779
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0172P)^2^+1.6921P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0536
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5363
_reflns_number_total             5779
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt02165h2.cif
_cod_data_source_block           sah_001m
_cod_database_code               7043392
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.466
_shelx_estimated_absorpt_t_max   0.786
_shelx_res_checksum              18320