# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

data_global
_audit_creation_date                               2016-01-15
_audit_creation_method                            'by CrystalStructure 4.1'
_audit_update_record                               ?

#==============================================================================
# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic                      ?
_journal_date_from_coeditor                        ?
_journal_date_accepted                             ?
_journal_coeditor_code                             ?

#==============================================================================
# SUBMISSION DETAILS

_publ_contact_author_name                         'ENTER NAME'
_publ_contact_author_email                        'ENTER EMAIL ADDRESS'
_publ_contact_author_fax                          'ENTER FAX NUMBER'
_publ_contact_author_phone                        'ENTER PHONE NUMBER'
_publ_contact_letter
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal                           'ENTER JOURNAL NAME HERE'
_publ_requested_category
                                               'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name                      ?

#==============================================================================
# TITLE AND AUTHOR LIST

_publ_section_title
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis
;
    ENTER SYNOPSIS
;

#==============================================================================
# TEXT

_publ_section_abstract
;
    ENTER ABSTRACT
;
_publ_section_comment
;
    ENTER TEXT
;
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku (2014). CrystalStructure. Version 4.1. 
    Rigaku Corporation, Tokyo, Japan.

    Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
    SHELXS2013

    Sheldrick, G.M. (2008), Acta Cryst. A64, 112-122.

    Rigaku (1995). ABSCOR. 
    Rigaku Corporation, Tokyo, Japan.

;
_publ_section_figure_captions
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================
data_MIN-ronbun-1-rac-binaphthyl

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum                             'C34.25 H22.5 Au2 Cl0.5 N2'
_chemical_formula_moiety                          'C34.25 H22.5 Au2 Cl0.5 N2'
_chemical_formula_weight                           873.73
_chemical_melting_point                            ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system                        orthorhombic
_space_group_name_H-M_alt                         'P b c n'
_space_group_name_Hall                            '-P 2n 2ab'
_space_group_IT_number                             60
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1   '+X,+Y,+Z'
2   '1/2-X,1/2+Y,+Z'
3   '+X,-Y,1/2+Z'
4   '1/2-X,1/2-Y,1/2+Z'
5   '-X,-Y,-Z'
6   '1/2+X,1/2-Y,-Z'
7   '-X,+Y,1/2-Z'
8   '1/2+X,1/2+Y,1/2-Z'
#------------------------------------------------------------------------------
_cell_length_a                                     13.0435(4)
_cell_length_b                                     18.7272(7)
_cell_length_c                                     23.6159(9)
_cell_angle_alpha                                  90.0000
_cell_angle_beta                                   90.0000
_cell_angle_gamma                                  90.0000
_cell_volume                                       5768.6(4)
_cell_formula_units_Z                              8
_cell_measurement_reflns_used                      34419
_cell_measurement_theta_min                        3.02
_cell_measurement_theta_max                        27.47
_cell_measurement_temperature                      123
#------------------------------------------------------------------------------
_exptl_crystal_description                         chunk
_exptl_crystal_colour                              green
_exptl_crystal_size_max                            0.165
_exptl_crystal_size_mid                            0.131
_exptl_crystal_size_min                            0.072
_exptl_crystal_density_diffrn                      2.012
_exptl_crystal_density_meas                        ?
_exptl_crystal_density_method                     'not measured'
_exptl_crystal_F_000                               3268.00
_exptl_absorpt_coefficient_mu                      10.268
_exptl_absorpt_correction_type                     multi-scan
_exptl_absorpt_process_details                    'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min                    0.221
_exptl_absorpt_correction_T_max                    0.477

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature                        123
_diffrn_radiation_type                            'Mo K\a'
_diffrn_radiation_wavelength                       0.71075
_diffrn_measurement_device_type                   'Rigaku R-AXIS RAPID'
_diffrn_measurement_method                         ω
_diffrn_detector_area_resol_mean                   10.000
_diffrn_reflns_number                              46284
_diffrn_reflns_av_R_equivalents                    0.0887
_diffrn_reflns_theta_max                           26.000
_diffrn_reflns_theta_min                           3.124
_diffrn_reflns_theta_full                          25.242
_diffrn_measured_fraction_theta_max                0.998
_diffrn_measured_fraction_theta_full               0.998
_diffrn_reflns_Laue_measured_fraction_max          0.998
_diffrn_reflns_Laue_measured_fraction_full         0.998
_diffrn_reflns_point_group_measured_fraction_max   0.998
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_limit_h_min                        -15
_diffrn_reflns_limit_h_max                         16
_diffrn_reflns_limit_k_min                        -23
_diffrn_reflns_limit_k_max                         23
_diffrn_reflns_limit_l_min                        -29
_diffrn_reflns_limit_l_max                         28
_diffrn_standards_number                           0
_diffrn_standards_interval_count                   .
_diffrn_standards_decay_%                          ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total                               5667
_reflns_number_gt                                  4553
_reflns_threshold_expression                       F²>2.0σ(F²)
_refine_ls_structure_factor_coef                   Fsqd
_refine_ls_R_factor_all                            0.0532
_refine_ls_R_factor_gt                             0.0380
_refine_ls_wR_factor_ref                           0.0749
_refine_ls_wR_factor_gt                            0.0701
_refine_ls_number_restraints                       321
_refine_ls_hydrogen_treatment                      constr
_refine_ls_number_reflns                           5667
_refine_ls_number_parameters                       368
_refine_ls_goodness_of_fit_ref                     1.061
_refine_ls_weighting_scheme                        calc
_refine_ls_weighting_details
                       'w = 1/[σ²(Fo²)+43.4568P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens                     geom
_atom_sites_solution_primary                       direct
_atom_sites_solution_secondary                     difmap
_refine_ls_shift/su_max                            0.002
_refine_diff_density_max                           0.85
_refine_diff_density_min                          -1.19
_refine_ls_extinction_method                       none
_refine_ls_extinction_coef                         ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
  'C' 'C'  0.0033 0.0016 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'H' 'H'  0.0000 0.0000 
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
  'Au' 'Au'  -2.0133 8.8022 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'N' 'N'  0.0061 0.0033 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'Cl' 'Cl'  0.1484 0.1585 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Au1 Au 0.37704(2) 0.35318(2) 0.83822(2) 0.03426(9) Uani 1 1 d . . . . .
Au2 Au 0.53344(2) 0.20341(2) 0.68122(2) 0.03420(9) Uani 1 1 d . . . . .
N35 N 0.3611(4) 0.4074(3) 0.7138(3) 0.0330(14) Uani 1 1 d . U . . .
N37 N 0.3131(5) 0.2655(3) 0.6617(3) 0.0334(14) Uani 1 1 d . U . . .
C3 C 0.3545(5) 0.4307(4) 0.6570(3) 0.0332(16) Uani 1 1 d . U . . .
C4 C 0.4287(6) 0.4799(4) 0.6386(4) 0.0406(18) Uani 1 1 d . U . . .
H4 H 0.4824 0.4951 0.6629 0.049 Uiso 1 1 calc R U . . .
C5 C 0.4207(6) 0.5047(5) 0.5849(4) 0.0479(19) Uani 1 1 d . U . . .
H5 H 0.4685 0.5395 0.5722 0.057 Uiso 1 1 calc R U . . .
C6 C 0.3437(6) 0.4808(5) 0.5470(4) 0.0451(19) Uani 1 1 d . U . . .
C7 C 0.3385(7) 0.5050(6) 0.4907(4) 0.063(2) Uani 1 1 d . U . . .
H7 H 0.3852 0.5403 0.4777 0.076 Uiso 1 1 calc R U . . .
C8 C 0.2672(8) 0.4784(6) 0.4551(4) 0.069(3) Uani 1 1 d . U . . .
H8 H 0.2651 0.4948 0.4171 0.083 Uiso 1 1 calc R U . . .
C9 C 0.1971(8) 0.4275(6) 0.4729(4) 0.064(3) Uani 1 1 d . U . . .
H9 H 0.1483 0.4091 0.4468 0.077 Uiso 1 1 calc R U . . .
C10 C 0.1976(7) 0.4035(5) 0.5278(3) 0.048(2) Uani 1 1 d . U . . .
H10 H 0.1486 0.3691 0.5398 0.057 Uiso 1 1 calc R U . . .
C11 C 0.2715(6) 0.4303(4) 0.5670(3) 0.0400(18) Uani 1 1 d . U . . .
C12 C 0.2752(5) 0.4068(4) 0.6242(3) 0.0302(15) Uani 1 1 d . U . . .
C13 C 0.2124(5) 0.2922(4) 0.6640(3) 0.0336(16) Uani 1 1 d . U . . .
C14 C 0.1933(5) 0.3598(4) 0.6472(3) 0.0294(15) Uani 1 1 d . U . . .
C15 C 0.0907(5) 0.3862(4) 0.6539(3) 0.0305(15) Uani 1 1 d . U . . .
C16 C 0.0652(6) 0.4586(4) 0.6450(3) 0.0394(18) Uani 1 1 d . U . . .
H16 H 0.1167 0.4907 0.6325 0.047 Uiso 1 1 calc R U . . .
C17 C -0.0325(6) 0.4836(5) 0.6540(4) 0.049(2) Uani 1 1 d . U . . .
H17 H -0.0476 0.5327 0.6485 0.058 Uiso 1 1 calc R U . . .
C18 C -0.1096(6) 0.4367(5) 0.6714(4) 0.048(2) Uani 1 1 d . U . . .
H18 H -0.1774 0.4539 0.6769 0.058 Uiso 1 1 calc R U . . .
C19 C -0.0878(6) 0.3659(5) 0.6806(4) 0.046(2) Uani 1 1 d . U . . .
H19 H -0.1411 0.3344 0.6918 0.055 Uiso 1 1 calc R U . . .
C20 C 0.0129(6) 0.3391(4) 0.6736(3) 0.0364(17) Uani 1 1 d . U . . .
C21 C 0.0375(6) 0.2677(5) 0.6855(3) 0.0394(18) Uani 1 1 d . U . . .
H21 H -0.0158 0.2356 0.6957 0.047 Uiso 1 1 calc R U . . .
C22 C 0.1373(6) 0.2427(4) 0.6827(3) 0.0353(16) Uani 1 1 d . U . . .
H22 H 0.1545 0.1951 0.6927 0.042 Uiso 1 1 calc R U . . .
C23 C 0.6681(6) 0.1551(4) 0.6977(3) 0.0350(17) Uani 1 1 d . U . . .
C24 C 0.6771(6) 0.1084(4) 0.7438(3) 0.0414(19) Uani 1 1 d . U . . .
H24 H 0.6192 0.1011 0.7675 0.050 Uiso 1 1 calc R U . . .
C25 C 0.7675(7) 0.0721(5) 0.7562(4) 0.052(2) Uani 1 1 d . U . . .
H25 H 0.7714 0.0423 0.7887 0.062 Uiso 1 1 calc R U . . .
C26 C 0.8509(6) 0.0796(5) 0.7214(4) 0.052(2) Uani 1 1 d . U . . .
H26 H 0.9123 0.0543 0.7294 0.062 Uiso 1 1 calc R U . . .
C27 C 0.8459(6) 0.1230(5) 0.6756(4) 0.050(2) Uani 1 1 d . U . . .
H27 H 0.9038 0.1276 0.6515 0.060 Uiso 1 1 calc R U . . .
C28 C 0.7551(6) 0.1616(4) 0.6634(4) 0.0427(19) Uani 1 1 d . U . . .
H28 H 0.7532 0.1924 0.6314 0.051 Uiso 1 1 calc R U . . .
C29 C 0.3878(8) 0.3266(4) 0.9208(4) 0.049(2) Uani 1 1 d . U . . .
C30 C 0.4833(8) 0.3245(5) 0.9481(3) 0.054(2) Uani 1 1 d . U . . .
H30 H 0.5431 0.3347 0.9266 0.064 Uiso 1 1 calc R U . . .
C31 C 0.4944(11) 0.3084(5) 1.0050(4) 0.077(3) Uani 1 1 d . U . . .
H31 H 0.5600 0.3088 1.0225 0.092 Uiso 1 1 calc R U . . .
C32 C 0.4074(13) 0.2919(7) 1.0357(5) 0.106(4) Uani 1 1 d . U . . .
H32 H 0.4137 0.2786 1.0744 0.127 Uiso 1 1 calc R U . . .
C33 C 0.3111(12) 0.2943(7) 1.0111(5) 0.106(4) Uani 1 1 d . U . . .
H33 H 0.2518 0.2853 1.0334 0.127 Uiso 1 1 calc R U . . .
C34 C 0.3008(9) 0.3102(6) 0.9532(4) 0.074(3) Uani 1 1 d . U . . .
H34 H 0.2349 0.3098 0.9360 0.089 Uiso 1 1 calc R U . . .
C36 C 0.3668(5) 0.3854(4) 0.7590(3) 0.0335(17) Uani 1 1 d . U . . .
C38 C 0.3939(6) 0.2426(4) 0.6668(3) 0.0391(19) Uani 1 1 d . U . . .
C41 C 0.440(5) 0.151(4) 0.5410(18) 0.267(4) Uani 0.25 1 d G U P A -1
H41A H 0.4357 0.2032 0.5364 0.320 Uiso 0.25 1 calc R U P A -1
H41B H 0.5049 0.1389 0.5606 0.320 Uiso 0.25 1 calc R U P A -1
Cl39 Cl 0.3190(13) 0.1140(7) 0.5851(7) 0.125(3) Uani 0.25 1 d G U P A -1
Cl40 Cl 0.4339(18) 0.107(2) 0.4735(9) 0.267(5) Uani 0.25 1 d G U P A -1


#==============================================================================
_computing_data_collection                        'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement                        'RAPID AUTO'
_computing_data_reduction                         'RAPID AUTO'
_computing_structure_solution
                                                 'SHELXS2013 (Sheldrick, 2008)'
_computing_structure_refinement
                                                 'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material
                                          'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics                     'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
N35 C36 1.145(9) . ?
N35 C3 1.414(9) . ?
N37 C38 1.145(9) . ?
N37 C13 1.406(9) . ?
C3 C12 1.367(10) . ?
C3 C4 1.405(10) . ?
C4 C5 1.354(11) . ?
C5 C6 1.419(12) . ?
C6 C7 1.407(12) . ?
C6 C11 1.415(11) . ?
C7 C8 1.349(14) . ?
C8 C9 1.385(14) . ?
C9 C10 1.373(12) . ?
C10 C11 1.426(11) . ?
C11 C12 1.422(10) . ?
C12 C14 1.487(10) . ?
C13 C14 1.349(10) . ?
C13 C22 1.420(10) . ?
C14 C15 1.436(9) . ?
C15 C16 1.411(11) . ?
C15 C20 1.423(10) . ?
C16 C17 1.374(10) . ?
C17 C18 1.396(11) . ?
C18 C19 1.374(12) . ?
C19 C20 1.414(10) . ?
C20 C21 1.405(11) . ?
C21 C22 1.385(10) . ?
C23 C28 1.399(11) . ?
C23 C24 1.401(11) . ?
C24 C25 1.392(11) . ?
C25 C26 1.371(12) . ?
C26 C27 1.353(12) . ?
C27 C28 1.417(11) . ?
C29 C30 1.403(13) . ?
C29 C34 1.403(12) . ?
C30 C31 1.385(12) . ?
C31 C32 1.382(17) . ?
C32 C33 1.385(18) . ?
C33 C34 1.407(15) . ?
C41 Cl40 1.7903 . ?
C41 Cl39 2.0123 . ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
C36 N35 C3 176.8(8) . . ?
C38 N37 C13 171.6(7) . . ?
C12 C3 C4 124.1(7) . . ?
C12 C3 N35 118.9(7) . . ?
C4 C3 N35 117.0(7) . . ?
C5 C4 C3 117.5(8) . . ?
C4 C5 C6 122.4(8) . . ?
C7 C6 C11 119.9(9) . . ?
C7 C6 C5 121.9(9) . . ?
C11 C6 C5 118.2(8) . . ?
C8 C7 C6 120.2(9) . . ?
C7 C8 C9 121.4(9) . . ?
C10 C9 C8 120.5(10) . . ?
C9 C10 C11 120.0(9) . . ?
C6 C11 C12 120.1(8) . . ?
C6 C11 C10 117.9(7) . . ?
C12 C11 C10 122.0(8) . . ?
C3 C12 C11 117.5(7) . . ?
C3 C12 C14 122.1(6) . . ?
C11 C12 C14 120.4(7) . . ?
C14 C13 N37 119.7(7) . . ?
C14 C13 C22 125.2(7) . . ?
N37 C13 C22 115.1(7) . . ?
C13 C14 C15 117.6(7) . . ?
C13 C14 C12 122.0(6) . . ?
C15 C14 C12 120.4(7) . . ?
C16 C15 C20 118.4(7) . . ?
C16 C15 C14 122.3(7) . . ?
C20 C15 C14 119.2(7) . . ?
C17 C16 C15 121.5(8) . . ?
C16 C17 C18 119.9(8) . . ?
C19 C18 C17 120.3(8) . . ?
C18 C19 C20 121.1(8) . . ?
C21 C20 C19 121.8(7) . . ?
C21 C20 C15 119.5(7) . . ?
C19 C20 C15 118.7(7) . . ?
C22 C21 C20 121.8(7) . . ?
C21 C22 C13 116.3(7) . . ?
C28 C23 C24 115.9(7) . . ?
C28 C23 Au2 123.8(6) . . ?
C24 C23 Au2 120.2(6) . . ?
C25 C24 C23 122.6(8) . . ?
C26 C25 C24 119.7(9) . . ?
C27 C26 C25 120.1(8) . . ?
C26 C27 C28 120.6(8) . . ?
C23 C28 C27 121.0(8) . . ?
C30 C29 C34 117.5(9) . . ?
C30 C29 Au1 120.9(7) . . ?
C34 C29 Au1 121.6(8) . . ?
C31 C30 C29 123.0(10) . . ?
C32 C31 C30 118.2(12) . . ?
C31 C32 C33 121.1(11) . . ?
C32 C33 C34 120.1(12) . . ?
C29 C34 C33 120.0(12) . . ?
N35 C36 Au1 176.7(7) . . ?
N37 C38 Au2 176.3(7) . . ?
Cl40 C41 Cl39 105.7 . . ?

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
