# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_f2plus
_database_code_depnum_ccdc_archive 'CCDC 1494945'
_audit_update_record             
;
2016-07-20 deposited with the CCDC.
2017-11-28 downloaded from the CCDC.
;

_audit_creation_date             2016-07-20T16:41:44-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
Rh2_NIP
;
_chemical_formula_moiety         'C64 H52 N4 O18 Rh2 S2'
_chemical_formula_sum            'C68 H64 N4 O20 Rh2 S4'
_chemical_formula_weight         1591.29
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.8868(4)
_cell_length_b                   27.3918(12)
_cell_length_c                   12.3432(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.369(7)
_cell_angle_gamma                90
_cell_volume                     3265.2(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    25743
_cell_measurement_theta_min      3.065
_cell_measurement_theta_max      27.49
_cell_measurement_wavelength     0.710747

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1628
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.714
_exptl_absorpt_correction_T_min  0.4168
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1955)'

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.710747
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPIC'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_number            30854
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_reflns_number_total             7422
_reflns_number_gt                5975
_reflns_threshold_expression     >2σ(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'RAPID AUTO (Rigaku)'
_computing_cell_refinement       'RAPID AUTO (Rigaku)'
_computing_data_reduction        'RAPID AUTO (Rigaku)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0797P)²+4.5874P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7422
_refine_ls_number_parameters     446
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0611
_refine_ls_wR_factor_ref         0.1639
_refine_ls_wR_factor_gt          0.1523
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.135
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.752
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.12

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.2325(5) 0.03172(14) 0.9571(4) 0.0395(9) Uani 1 1 d . . .
C2 C 1.3657(5) 0.05113(17) 0.9321(4) 0.0468(10) Uani 1 1 d . . .
H2A H 1.3431 0.0717 0.8668 0.056 Uiso 1 1 calc R . .
H2B H 1.4196 0.0238 0.9145 0.056 Uiso 1 1 calc R . .
C3 C 1.4560(6) 0.08065(18) 1.0269(5) 0.0555(12) Uani 1 1 d . . .
H3A H 1.4526 0.0651 1.0969 0.067 Uiso 1 1 calc R . .
H3B H 1.5513 0.0796 1.0185 0.067 Uiso 1 1 calc R . .
C4 C 1.3518(6) 0.1481(2) 1.1183(5) 0.0613(14) Uani 1 1 d . . .
C5 C 1.3261(6) 0.2015(2) 1.1241(5) 0.0618(14) Uani 1 1 d . . .
C6 C 1.2620(7) 0.2194(3) 1.2062(6) 0.084(2) Uani 1 1 d . . .
H6 H 1.2341 0.1983 1.2562 0.101 Uiso 1 1 calc R . .
C7 C 1.2400(8) 0.2706(3) 1.2121(7) 0.091(2) Uani 1 1 d . . .
H7 H 1.1944 0.2825 1.2652 0.109 Uiso 1 1 calc R . .
C8 C 1.2828(8) 0.3022(3) 1.1436(7) 0.086(2) Uani 1 1 d . . .
H8 H 1.2675 0.3355 1.1508 0.103 Uiso 1 1 calc R . .
C9 C 1.3502(6) 0.2860(2) 1.0612(6) 0.0687(16) Uani 1 1 d . . .
C10 C 1.4039(8) 0.3173(2) 0.9926(6) 0.080(2) Uani 1 1 d . . .
H10 H 1.3945 0.3509 1.0001 0.096 Uiso 1 1 calc R . .
C11 C 1.4702(8) 0.2998(2) 0.9142(6) 0.0765(19) Uani 1 1 d . . .
H11 H 1.5072 0.3214 0.8701 0.092 Uiso 1 1 calc R . .
C12 C 1.4821(6) 0.2495(2) 0.9006(5) 0.0635(14) Uani 1 1 d . . .
H12 H 1.5229 0.2378 0.8445 0.076 Uiso 1 1 calc R . .
C13 C 1.4347(5) 0.21691(18) 0.9686(4) 0.0540(12) Uani 1 1 d . . .
C14 C 1.4566(5) 0.16379(18) 0.9560(4) 0.0481(10) Uani 1 1 d . . .
C15 C 1.3692(5) 0.2341(2) 1.0511(5) 0.0558(12) Uani 1 1 d . . .
C16 C 1.0366(4) -0.08683(14) 0.9250(4) 0.0371(8) Uani 1 1 d . . .
C17 C 1.0539(5) -0.13780(14) 0.8830(4) 0.0412(9) Uani 1 1 d . . .
H17A H 0.974 -0.1574 0.8885 0.049 Uiso 1 1 calc R . .
H17B H 1.0591 -0.1363 0.8054 0.049 Uiso 1 1 calc R . .
C18 C 1.1829(5) -0.16156(16) 0.9486(4) 0.0505(11) Uani 1 1 d . . .
H18A H 1.262 -0.1409 0.9467 0.061 Uiso 1 1 calc R . .
H18B H 1.1752 -0.1647 1.0253 0.061 Uiso 1 1 calc R . .
C19 C 1.2845(5) -0.21234(15) 0.8231(4) 0.0433(10) Uani 1 1 d . . .
C20 C 1.3140(5) -0.26124(15) 0.7838(4) 0.0418(9) Uani 1 1 d . . .
C21 C 1.3878(5) -0.26540(19) 0.7019(4) 0.0527(11) Uani 1 1 d . . .
H21 H 1.4158 -0.2376 0.6692 0.063 Uiso 1 1 calc R . .
C22 C 1.4209(6) -0.3126(2) 0.6675(5) 0.0587(13) Uani 1 1 d . . .
H22 H 1.4674 -0.3156 0.6099 0.07 Uiso 1 1 calc R . .
C23 C 1.3860(6) -0.35282(19) 0.7171(5) 0.0579(13) Uani 1 1 d . . .
H23 H 1.4135 -0.3832 0.6961 0.07 Uiso 1 1 calc R . .
C24 C 1.3076(6) -0.35004(16) 0.8010(4) 0.0519(12) Uani 1 1 d . . .
C25 C 1.2666(6) -0.39128(17) 0.8533(5) 0.0621(15) Uani 1 1 d . . .
H25 H 1.2926 -0.4222 0.834 0.074 Uiso 1 1 calc R . .
C26 C 1.1897(7) -0.38679(19) 0.9314(5) 0.0697(16) Uani 1 1 d . . .
H26 H 1.164 -0.4147 0.965 0.084 Uiso 1 1 calc R . .
C27 C 1.1485(7) -0.3409(2) 0.9624(5) 0.0658(15) Uani 1 1 d . . .
H27 H 1.0933 -0.3383 1.0144 0.079 Uiso 1 1 calc R . .
C28 C 1.1904(6) -0.29933(16) 0.9150(4) 0.0489(11) Uani 1 1 d . . .
C29 C 1.1532(6) -0.25049(18) 0.9505(4) 0.0518(11) Uani 1 1 d . . .
C30 C 1.2702(5) -0.30310(15) 0.8339(4) 0.0426(10) Uani 1 1 d . . .
C31 C 0.6536(6) 0.0660(2) 0.7487(5) 0.0583(13) Uani 1 1 d . . .
H31A H 0.6792 0.0954 0.7903 0.087 Uiso 1 1 calc R . .
H31B H 0.6052 0.0448 0.7893 0.087 Uiso 1 1 calc R . .
H31C H 0.5945 0.0739 0.6785 0.087 Uiso 1 1 calc R . .
C32 C 0.7310(6) -0.01720(17) 0.6569(4) 0.0542(12) Uani 1 1 d . . .
H32A H 0.6564 -0.0083 0.5966 0.081 Uiso 1 1 calc R . .
H32B H 0.6963 -0.0377 0.7079 0.081 Uiso 1 1 calc R . .
H32C H 0.8004 -0.0346 0.6285 0.081 Uiso 1 1 calc R . .
C33 C 0.3734(7) 0.9067(2) 0.6118(5) 0.0732(17) Uani 1 1 d . . .
H33A H 0.3364 0.9115 0.534 0.11 Uiso 1 1 calc R . .
H33B H 0.3384 0.8767 0.6351 0.11 Uiso 1 1 calc R . .
H33C H 0.4726 0.9052 0.6251 0.11 Uiso 1 1 calc R . .
C34 C 0.1428(8) 0.9548(3) 0.6331(6) 0.089(2) Uani 1 1 d . . .
H34A H 0.0999 0.982 0.6616 0.133 Uiso 1 1 calc R . .
H34B H 0.1049 0.9249 0.6543 0.133 Uiso 1 1 calc R . .
H34C H 0.1256 0.9568 0.5537 0.133 Uiso 1 1 calc R . .
N1 N 1.4135(4) 0.13218(15) 1.0312(3) 0.0509(9) Uani 1 1 d . . .
N2 N 1.2061(4) -0.21023(12) 0.9045(3) 0.0436(8) Uani 1 1 d . . .
O1 O 1.1259(3) 0.03485(10) 0.8807(2) 0.0388(6) Uani 1 1 d . . .
O2 O 0.9743(3) -0.05623(10) 0.8552(2) 0.0384(6) Uani 1 1 d . . .
O3 O 0.7609(3) -0.01235(10) 0.9486(2) 0.0396(6) Uani 1 1 d . . .
O4 O 0.9157(3) 0.07916(10) 0.9729(2) 0.0414(7) Uani 1 1 d . . .
O5 O 1.3226(5) 0.11899(17) 1.1826(4) 0.0829(14) Uani 1 1 d . . .
O6 O 1.5120(4) 0.14743(14) 0.8849(3) 0.0575(9) Uani 1 1 d . . .
O7 O 1.3249(4) -0.17443(12) 0.7891(3) 0.0584(9) Uani 1 1 d . . .
O8 O 1.0823(6) -0.24479(16) 1.0187(4) 0.0799(13) Uani 1 1 d . . .
O9 O 0.8623(4) 0.06648(13) 0.6468(3) 0.0559(9) Uani 1 1 d . . .
O10 O 0.3759(6) 1.00029(18) 0.6421(6) 0.115(2) Uani 1 1 d . . .
S1 S 0.80478(12) 0.03630(4) 0.72632(9) 0.0388(2) Uani 1 1 d . . .
S2 S 0.3229(2) 0.95609(6) 0.68780(15) 0.0869(6) Uani 1 1 d . . .
Rh1 Rh 0.93967(3) 0.012182(10) 0.90826(2) 0.03286(12) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 O1 1.258(5) . ?
C1 O3 1.267(5) 3_757 ?
C1 C2 1.512(6) . ?
C2 C3 1.540(7) . ?
C2 H2A 0.97 . ?
C2 H2B 0.97 . ?
C3 N1 1.477(6) . ?
C3 H3A 0.97 . ?
C3 H3B 0.97 . ?
C4 O5 1.203(7) . ?
C4 N1 1.414(7) . ?
C4 C5 1.487(9) . ?
C5 C6 1.395(9) . ?
C5 C15 1.398(8) . ?
C6 C7 1.423(11) . ?
C6 H6 0.93 . ?
C7 C8 1.341(11) . ?
C7 H7 0.93 . ?
C8 C9 1.402(10) . ?
C8 H8 0.93 . ?
C9 C10 1.388(10) . ?
C9 C15 1.444(8) . ?
C10 C11 1.366(10) . ?
C10 H10 0.93 . ?
C11 C12 1.398(9) . ?
C11 H11 0.93 . ?
C12 C13 1.374(8) . ?
C12 H12 0.93 . ?
C13 C15 1.400(8) . ?
C13 C14 1.484(7) . ?
C14 O6 1.216(6) . ?
C14 N1 1.401(6) . ?
C16 O2 1.264(5) . ?
C16 O4 1.265(5) 3_757 ?
C16 C17 1.512(5) . ?
C17 C18 1.504(6) . ?
C17 H17A 0.97 . ?
C17 H17B 0.97 . ?
C18 N2 1.476(5) . ?
C18 H18A 0.97 . ?
C18 H18B 0.97 . ?
C19 O7 1.219(5) . ?
C19 N2 1.396(6) . ?
C19 C20 1.475(6) . ?
C20 C21 1.373(7) . ?
C20 C30 1.414(6) . ?
C21 C22 1.420(7) . ?
C21 H21 0.93 . ?
C22 C23 1.341(8) . ?
C22 H22 0.93 . ?
C23 C24 1.422(8) . ?
C23 H23 0.93 . ?
C24 C25 1.403(8) . ?
C24 C30 1.421(6) . ?
C25 C26 1.356(9) . ?
C25 H25 0.93 . ?
C26 C27 1.400(8) . ?
C26 H26 0.93 . ?
C27 C28 1.384(7) . ?
C27 H27 0.93 . ?
C28 C30 1.405(7) . ?
C28 C29 1.479(7) . ?
C29 O8 1.216(7) . ?
C29 N2 1.393(6) . ?
C31 S1 1.775(5) . ?
C31 H31A 0.96 . ?
C31 H31B 0.96 . ?
C31 H31C 0.96 . ?
C32 S1 1.774(5) . ?
C32 H32A 0.96 . ?
C32 H32B 0.96 . ?
C32 H32C 0.96 . ?
C33 S2 1.778(7) . ?
C33 H33A 0.96 . ?
C33 H33B 0.96 . ?
C33 H33C 0.96 . ?
C34 S2 1.764(8) . ?
C34 H34A 0.96 . ?
C34 H34B 0.96 . ?
C34 H34C 0.96 . ?
O1 Rh1 2.040(3) . ?
O2 Rh1 2.038(3) . ?
O3 C1 1.267(5) 3_757 ?
O3 Rh1 2.050(3) . ?
O4 C16 1.265(5) 3_757 ?
O4 Rh1 2.035(3) . ?
O9 S1 1.487(3) . ?
O10 S2 1.478(6) . ?
S1 Rh1 2.4444(11) . ?
Rh1 Rh1 2.4167(6) 3_757 ?

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
O1 C1 O3 126.0(4) . 3_757 ?
O1 C1 C2 116.7(4) . . ?
O3 C1 C2 117.3(4) 3_757 . ?
C1 C2 C3 114.7(4) . . ?
C1 C2 H2A 108.6 . . ?
C3 C2 H2A 108.6 . . ?
C1 C2 H2B 108.6 . . ?
C3 C2 H2B 108.6 . . ?
H2A C2 H2B 107.6 . . ?
N1 C3 C2 114.0(4) . . ?
N1 C3 H3A 108.8 . . ?
C2 C3 H3A 108.8 . . ?
N1 C3 H3B 108.8 . . ?
C2 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
O5 C4 N1 120.0(6) . . ?
O5 C4 C5 123.5(6) . . ?
N1 C4 C5 116.5(5) . . ?
C6 C5 C15 119.4(6) . . ?
C6 C5 C4 119.3(6) . . ?
C15 C5 C4 121.2(5) . . ?
C5 C6 C7 118.9(7) . . ?
C5 C6 H6 120.6 . . ?
C7 C6 H6 120.6 . . ?
C8 C7 C6 122.1(7) . . ?
C8 C7 H7 118.9 . . ?
C6 C7 H7 118.9 . . ?
C7 C8 C9 121.1(7) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C10 C9 C8 123.3(7) . . ?
C10 C9 C15 118.9(6) . . ?
C8 C9 C15 117.7(6) . . ?
C11 C10 C9 121.3(6) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 119.8(6) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C13 C12 C11 121.2(6) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C15 119.8(5) . . ?
C12 C13 C14 119.8(5) . . ?
C15 C13 C14 120.4(5) . . ?
O6 C14 N1 119.9(5) . . ?
O6 C14 C13 122.4(5) . . ?
N1 C14 C13 117.7(5) . . ?
C5 C15 C13 120.4(5) . . ?
C5 C15 C9 120.7(6) . . ?
C13 C15 C9 118.9(5) . . ?
O2 C16 O4 126.3(3) . 3_757 ?
O2 C16 C17 117.0(4) . . ?
O4 C16 C17 116.7(4) 3_757 . ?
C18 C17 C16 111.1(3) . . ?
C18 C17 H17A 109.4 . . ?
C16 C17 H17A 109.4 . . ?
C18 C17 H17B 109.4 . . ?
C16 C17 H17B 109.4 . . ?
H17A C17 H17B 108 . . ?
N2 C18 C17 111.9(4) . . ?
N2 C18 H18A 109.2 . . ?
C17 C18 H18A 109.2 . . ?
N2 C18 H18B 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
O7 C19 N2 119.1(4) . . ?
O7 C19 C20 123.9(4) . . ?
N2 C19 C20 117.0(4) . . ?
C21 C20 C30 121.0(4) . . ?
C21 C20 C19 119.4(4) . . ?
C30 C20 C19 119.5(4) . . ?
C20 C21 C22 119.2(5) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
C23 C22 C21 120.9(5) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 121.5(4) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C25 C24 C30 118.6(5) . . ?
C25 C24 C23 123.2(5) . . ?
C30 C24 C23 118.2(5) . . ?
C26 C25 C24 121.0(5) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C25 C26 C27 121.1(5) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 119.5(6) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C27 C28 C30 120.4(5) . . ?
C27 C28 C29 120.1(5) . . ?
C30 C28 C29 119.4(4) . . ?
O8 C29 N2 120.2(4) . . ?
O8 C29 C28 122.6(5) . . ?
N2 C29 C28 117.1(4) . . ?
C28 C30 C20 121.5(4) . . ?
C28 C30 C24 119.3(4) . . ?
C20 C30 C24 119.1(4) . . ?
S1 C31 H31A 109.5 . . ?
S1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
S1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
S1 C32 H32A 109.5 . . ?
S1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
S1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
S2 C33 H33A 109.5 . . ?
S2 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
S2 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
S2 C34 H34A 109.5 . . ?
S2 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
S2 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C14 N1 C4 123.7(4) . . ?
C14 N1 C3 115.9(4) . . ?
C4 N1 C3 119.7(4) . . ?
C29 N2 C19 125.2(4) . . ?
C29 N2 C18 117.6(4) . . ?
C19 N2 C18 117.2(4) . . ?
C1 O1 Rh1 119.7(3) . . ?
C16 O2 Rh1 118.8(3) . . ?
C1 O3 Rh1 118.9(3) 3_757 . ?
C16 O4 Rh1 119.4(2) 3_757 . ?
O9 S1 C32 108.4(2) . . ?
O9 S1 C31 107.6(2) . . ?
C32 S1 C31 100.4(3) . . ?
O9 S1 Rh1 123.13(15) . . ?
C32 S1 Rh1 107.92(17) . . ?
C31 S1 Rh1 107.04(18) . . ?
O10 S2 C34 106.3(4) . . ?
O10 S2 C33 105.0(4) . . ?
C34 S2 C33 99.1(3) . . ?
O4 Rh1 O2 175.42(11) . . ?
O4 Rh1 O1 88.64(12) . . ?
O2 Rh1 O1 90.36(12) . . ?
O4 Rh1 O3 91.22(12) . . ?
O2 Rh1 O3 89.41(12) . . ?
O1 Rh1 O3 175.32(11) . . ?
O4 Rh1 Rh1 87.53(8) . 3_757 ?
O2 Rh1 Rh1 87.95(8) . 3_757 ?
O1 Rh1 Rh1 87.62(8) . 3_757 ?
O3 Rh1 Rh1 87.70(8) . 3_757 ?
O4 Rh1 S1 91.73(9) . . ?
O2 Rh1 S1 92.82(8) . . ?
O1 Rh1 S1 95.67(9) . . ?
O3 Rh1 S1 89.01(9) . . ?
Rh1 Rh1 S1 176.62(3) 3_757 . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
