# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_1.2toluene

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H56 Cl2 N4 O4 P2 Ru'
_chemical_formula_weight         1179.03

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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.7677(3)
_cell_length_b                   13.6919(2)
_cell_length_c                   16.3250(2)
_cell_angle_alpha                90
_cell_angle_beta                 114.4320(10)
_cell_angle_gamma                90
_cell_volume                     5650.85(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8613
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      23.19

_exptl_crystal_description       Blocks
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_F_000             2432
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.32
_exptl_absorpt_coefficient_mu    0.481
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36330
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.611
_diffrn_reflns_theta_max         28.234
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6814
_reflns_number_gt                4798
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0289P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6814
_refine_ls_number_parameters     421
_refine_ls_number_restraints     277
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0323
_refine_ls_wR_factor_ref         0.0686
_refine_ls_wR_factor_gt          0.0627
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_restrained_S_all      0.931
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ru1 Ru 0.0000 0.13462(2) 0.7500 0.03464(7) Uani 1 2 d S T P . .
P1 P 0.09256(2) 0.11980(3) 0.77997(3) 0.03863(13) Uani 1 1 d . . . . .
Cl1 Cl -0.00965(2) 0.00889(3) 0.64004(3) 0.04738(13) Uani 1 1 d . . . . .
N1 N -0.00837(5) 0.25106(10) 0.66605(10) 0.0378(4) Uani 1 1 d . . . . .
N2 N 0.0300(19) 0.395(3) 0.4231(12) 0.0716(13) Uani 0.586(3) 1 d D . P A 1
O1 O 0.0514(4) 0.4622(10) 0.4742(8) 0.085(2) Uani 0.586(3) 1 d D U P A 1
O2 O 0.0325(5) 0.3825(11) 0.3500(8) 0.111(3) Uani 0.586(3) 1 d D U P A 1
N2' N 0.034(3) 0.400(4) 0.4359(18) 0.0716(13) Uani 0.414(3) 1 d D . P A 2
O1' O 0.0672(7) 0.4509(15) 0.4914(13) 0.085(2) Uani 0.414(3) 1 d D U P A 2
O2' O 0.0194(7) 0.4096(17) 0.3540(13) 0.111(3) Uani 0.414(3) 1 d D U P A 2
C1 C -0.01566(7) 0.25337(13) 0.57368(13) 0.0407(4) Uani 1 1 d . . . . .
C2 C 0.01131(8) 0.32192(14) 0.54601(14) 0.0462(5) Uani 1 1 d . . . . .
H2A H 0.0343 0.3662 0.5867 0.055 Uiso 1 1 calc R U . . .
C3 C 0.00337(8) 0.32276(16) 0.45768(15) 0.0533(5) Uani 1 1 d D . . . .
C4 C -0.02931(9) 0.25712(18) 0.39558(15) 0.0635(6) Uani 1 1 d . . . . .
H4A H -0.0331 0.2580 0.3363 0.076 Uiso 1 1 calc R U . . .
C5 C -0.05617(9) 0.19031(17) 0.42382(15) 0.0601(6) Uani 1 1 d . . . . .
H5A H -0.0790 0.1461 0.3829 0.072 Uiso 1 1 calc R U . . .
C6 C -0.04963(8) 0.18823(14) 0.51194(13) 0.0486(5) Uani 1 1 d . . . . .
H6A H -0.0681 0.1428 0.5302 0.058 Uiso 1 1 calc R U . . .
C7 C -0.00455(8) 0.33714(13) 0.70466(12) 0.0459(5) Uani 1 1 d . . . . .
H7A H -0.0078 0.3950 0.6729 0.069 Uiso 1 1 calc R U . . .
C8 C 0.12275(7) -0.00153(13) 0.78813(13) 0.0426(5) Uani 1 1 d . . . . .
C9 C 0.10156(8) -0.08623(14) 0.80521(13) 0.0494(5) Uani 1 1 d . . . . .
H9A H 0.0694 -0.0840 0.8103 0.059 Uiso 1 1 calc R U . . .
C10 C 0.12765(9) -0.17438(15) 0.81479(14) 0.0582(6) Uani 1 1 d . . . . .
H10A H 0.1133 -0.2306 0.8276 0.070 Uiso 1 1 calc R U . . .
C11 C 0.17415(10) -0.17982(18) 0.80563(15) 0.0689(7) Uani 1 1 d . . . . .
H11A H 0.1913 -0.2395 0.8118 0.083 Uiso 1 1 calc R U . . .
C12 C 0.19531(9) -0.09741(19) 0.78747(17) 0.0757(7) Uani 1 1 d . . . . .
H12A H 0.2267 -0.1010 0.7801 0.091 Uiso 1 1 calc R U . . .
C13 C 0.17035(8) -0.00823(16) 0.77990(16) 0.0623(6) Uani 1 1 d . . . . .
H13A H 0.1857 0.0479 0.7692 0.075 Uiso 1 1 calc R U . . .
C14 C 0.13666(7) 0.17633(14) 0.88602(13) 0.0458(5) Uani 1 1 d . . . . .
C15 C 0.16891(9) 0.11964(17) 0.95849(16) 0.0684(7) Uani 1 1 d . . . . .
H15A H 0.1707 0.0525 0.9516 0.082 Uiso 1 1 calc R U . . .
C16 C 0.19846(11) 0.1623(2) 1.04093(18) 0.0972(10) Uani 1 1 d . . . . .
H16A H 0.2200 0.1236 1.0889 0.117 Uiso 1 1 calc R U . . .
C17 C 0.19637(11) 0.2604(2) 1.05270(19) 0.0984(10) Uani 1 1 d . . . . .
H17A H 0.2163 0.2884 1.1085 0.118 Uiso 1 1 calc R U . . .
C18 C 0.16477(11) 0.31777(19) 0.98207(19) 0.0799(8) Uani 1 1 d . . . . .
H18A H 0.1634 0.3848 0.9899 0.096 Uiso 1 1 calc R U . . .
C19 C 0.13497(8) 0.27638(15) 0.89950(15) 0.0553(6) Uani 1 1 d . . . . .
H19A H 0.1134 0.3159 0.8522 0.066 Uiso 1 1 calc R U . . .
C20 C 0.11088(7) 0.17323(14) 0.69344(13) 0.0426(5) Uani 1 1 d . . . . .
C21 C 0.14457(8) 0.25191(15) 0.70660(15) 0.0587(6) Uani 1 1 d . . . . .
H21A H 0.1584 0.2839 0.7618 0.070 Uiso 1 1 calc R U . . .
C22 C 0.15770(9) 0.28309(18) 0.63747(18) 0.0730(7) Uani 1 1 d . . . . .
H22A H 0.1800 0.3366 0.6467 0.088 Uiso 1 1 calc R U . . .
C23 C 0.13838(9) 0.23632(19) 0.55597(17) 0.0708(7) Uani 1 1 d . . . . .
H23A H 0.1479 0.2573 0.5105 0.085 Uiso 1 1 calc R U . . .
C24 C 0.10507(8) 0.15862(17) 0.54198(15) 0.0603(6) Uani 1 1 d . . . . .
H24A H 0.0918 0.1268 0.4867 0.072 Uiso 1 1 calc R U . . .
C25 C 0.09101(8) 0.12692(14) 0.60950(14) 0.0500(5) Uani 1 1 d . . . . .
H25A H 0.0681 0.0742 0.5990 0.060 Uiso 1 1 calc R U . . .
C31 C 0.1997(2) 0.4347(4) 0.3781(4) 0.0905(15) Uani 0.586(3) 1 d D U P A 1
C32 C 0.1445(2) 0.4473(6) 0.3421(5) 0.0842(18) Uani 0.586(3) 1 d D U P A 1
H32 H 0.1289 0.4470 0.3827 0.101 Uiso 0.586(3) 1 calc R U P A 1
C33 C 0.1142(4) 0.4591(5) 0.2603(5) 0.103(2) Uani 0.586(3) 1 d D U P A 1
H33 H 0.0779 0.4683 0.2407 0.124 Uiso 0.586(3) 1 calc R U P A 1
C34 C 0.1415(3) 0.4569(5) 0.1947(5) 0.117(2) Uani 0.586(3) 1 d D U P A 1
H34 H 0.1220 0.4616 0.1328 0.141 Uiso 0.586(3) 1 calc R U P A 1
C35 C 0.1904(3) 0.4487(5) 0.2274(5) 0.1086(19) Uani 0.586(3) 1 d D U P A 1
H35 H 0.2067 0.4522 0.1878 0.130 Uiso 0.586(3) 1 calc R U P A 1
C36 C 0.2216(3) 0.4352(7) 0.3139(5) 0.0853(18) Uani 0.586(3) 1 d D U P A 1
H36 H 0.2577 0.4260 0.3321 0.102 Uiso 0.586(3) 1 calc R U P A 1
C37 C 0.2317(2) 0.4149(6) 0.4716(5) 0.106(2) Uani 0.586(3) 1 d D U P A 1
H37A H 0.2681 0.4091 0.4811 0.159 Uiso 0.586(3) 1 calc R U P A 1
H37B H 0.2203 0.3549 0.4885 0.159 Uiso 0.586(3) 1 calc R U P A 1
H37C H 0.2281 0.4673 0.5076 0.159 Uiso 0.586(3) 1 calc R U P A 1
C31' C 0.1595(3) 0.4537(5) 0.2933(5) 0.0937(19) Uani 0.414(3) 1 d D U P A 2
C32' C 0.1612(3) 0.4397(9) 0.3809(6) 0.086(2) Uani 0.414(3) 1 d D U P A 2
H32' H 0.1295 0.4436 0.3874 0.104 Uiso 0.414(3) 1 calc R U P A 2
C33' C 0.2029(3) 0.4221(8) 0.4507(8) 0.099(2) Uani 0.414(3) 1 d D U P A 2
H33' H 0.2030 0.4187 0.5077 0.119 Uiso 0.414(3) 1 calc R U P A 2
C34' C 0.2530(3) 0.4071(6) 0.4352(7) 0.092(2) Uani 0.414(3) 1 d D U P A 2
H34' H 0.2844 0.3876 0.4821 0.110 Uiso 0.414(3) 1 calc R U P A 2
C35' C 0.2508(3) 0.4217(6) 0.3575(6) 0.092(2) Uani 0.414(3) 1 d D U P A 2
H35' H 0.2824 0.4176 0.3507 0.110 Uiso 0.414(3) 1 calc R U P A 2
C36' C 0.2079(4) 0.4421(12) 0.2853(7) 0.099(3) Uani 0.414(3) 1 d D U P A 2
H36' H 0.2094 0.4488 0.2297 0.119 Uiso 0.414(3) 1 calc R U P A 2
C37' C 0.1140(4) 0.4748(9) 0.2101(7) 0.118(4) Uani 0.414(3) 1 d D U P A 2
H37D H 0.1250 0.4789 0.1617 0.177 Uiso 0.414(3) 1 calc R U P A 2
H37E H 0.0986 0.5358 0.2158 0.177 Uiso 0.414(3) 1 calc R U P A 2
H37F H 0.0884 0.4236 0.1979 0.177 Uiso 0.414(3) 1 calc R U P A 2


_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
Ru1 N1 2.0519(14) . ?
Ru1 N1 2.0519(14) 2_556 ?
Ru1 P1 2.4179(5) 2_556 ?
Ru1 P1 2.4179(5) . ?
Ru1 Cl1 2.4206(5) . ?
Ru1 Cl1 2.4206(5) 2_556 ?
P1 C14 1.828(2) . ?
P1 C20 1.840(2) . ?
P1 C8 1.8406(18) . ?
N1 C7 1.320(2) . ?
N1 C1 1.437(2) . ?
N2 O1 1.218(13) . ?
N2 O2 1.236(17) . ?
N2 C3 1.480(5) . ?
N2' O1' 1.216(14) . ?
N2' O2' 1.235(18) . ?
N2' C3 1.480(7) . ?
C1 C6 1.384(3) . ?
C1 C2 1.388(2) . ?
C2 C3 1.366(3) . ?
C3 C4 1.378(3) . ?
C4 C5 1.375(3) . ?
C5 C6 1.374(3) . ?
C7 C7 1.395(4) 2_556 ?
C8 C9 1.380(3) . ?
C8 C13 1.386(3) . ?
C9 C10 1.383(3) . ?
C10 C11 1.362(3) . ?
C11 C12 1.360(3) . ?
C12 C13 1.384(3) . ?
C14 C15 1.388(3) . ?
C14 C19 1.391(3) . ?
C15 C16 1.383(3) . ?
C16 C17 1.361(3) . ?
C17 C18 1.371(3) . ?
C18 C19 1.378(3) . ?
C20 C21 1.384(3) . ?
C20 C25 1.400(3) . ?
C21 C22 1.389(3) . ?
C22 C23 1.370(3) . ?
C23 C24 1.366(3) . ?
C24 C25 1.383(3) . ?
C31 C32 1.408(6) . ?
C31 C36 1.412(7) . ?
C31 C37 1.439(8) . ?
C32 C33 1.260(9) . ?
C33 C34 1.550(10) . ?
C34 C35 1.242(7) . ?
C35 C36 1.329(8) . ?
C31' C36' 1.412(9) . ?
C31' C32' 1.424(8) . ?
C31' C37' 1.451(10) . ?
C32' C33' 1.267(10) . ?
C33' C34' 1.526(11) . ?
C34' C35' 1.261(8) . ?
C35' C36' 1.313(10) . ?

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
N1 Ru1 N1 78.03(8) . 2_556 ?
N1 Ru1 P1 96.47(4) . 2_556 ?
N1 Ru1 P1 91.02(4) 2_556 2_556 ?
N1 Ru1 P1 91.01(4) . . ?
N1 Ru1 P1 96.47(4) 2_556 . ?
P1 Ru1 P1 170.37(2) 2_556 . ?
N1 Ru1 Cl1 96.32(4) . . ?
N1 Ru1 Cl1 174.29(4) 2_556 . ?
P1 Ru1 Cl1 90.449(16) 2_556 . ?
P1 Ru1 Cl1 82.693(16) . . ?
N1 Ru1 Cl1 174.29(4) . 2_556 ?
N1 Ru1 Cl1 96.32(4) 2_556 2_556 ?
P1 Ru1 Cl1 82.692(16) 2_556 2_556 ?
P1 Ru1 Cl1 90.451(16) . 2_556 ?
Cl1 Ru1 Cl1 89.34(2) . 2_556 ?
C14 P1 C20 105.62(9) . . ?
C14 P1 C8 101.95(9) . . ?
C20 P1 C8 98.75(9) . . ?
C14 P1 Ru1 113.31(6) . . ?
C20 P1 Ru1 114.81(6) . . ?
C8 P1 Ru1 120.30(6) . . ?
C7 N1 C1 115.48(15) . . ?
C7 N1 Ru1 114.23(12) . . ?
C1 N1 Ru1 130.25(11) . . ?
O1 N2 O2 124.1(9) . . ?
O1 N2 C3 115.0(14) . . ?
O2 N2 C3 120.8(16) . . ?
O1' N2' O2' 123.2(12) . . ?
O1' N2' C3 124.5(18) . . ?
O2' N2' C3 112.2(19) . . ?
C6 C1 C2 119.73(18) . . ?
C6 C1 N1 120.53(17) . . ?
C2 C1 N1 119.74(17) . . ?
C3 C2 C1 118.4(2) . . ?
C2 C3 C4 122.8(2) . . ?
C2 C3 N2' 113.6(8) . . ?
C4 C3 N2' 123.6(8) . . ?
C2 C3 N2 121.4(6) . . ?
C4 C3 N2 115.9(6) . . ?
C5 C4 C3 118.1(2) . . ?
C6 C5 C4 120.7(2) . . ?
C5 C6 C1 120.3(2) . . ?
N1 C7 C7 116.76(10) . 2_556 ?
C9 C8 C13 117.87(18) . . ?
C9 C8 P1 123.62(15) . . ?
C13 C8 P1 118.47(15) . . ?
C8 C9 C10 120.6(2) . . ?
C11 C10 C9 120.8(2) . . ?
C12 C11 C10 119.6(2) . . ?
C11 C12 C13 120.4(2) . . ?
C12 C13 C8 120.8(2) . . ?
C15 C14 C19 117.9(2) . . ?
C15 C14 P1 120.90(16) . . ?
C19 C14 P1 120.89(16) . . ?
C16 C15 C14 120.5(2) . . ?
C17 C16 C15 120.8(3) . . ?
C16 C17 C18 119.8(3) . . ?
C17 C18 C19 120.2(2) . . ?
C18 C19 C14 120.9(2) . . ?
C21 C20 C25 118.18(19) . . ?
C21 C20 P1 125.04(16) . . ?
C25 C20 P1 116.70(14) . . ?
C20 C21 C22 120.1(2) . . ?
C23 C22 C21 121.1(2) . . ?
C24 C23 C22 119.5(2) . . ?
C23 C24 C25 120.4(2) . . ?
C24 C25 C20 120.74(19) . . ?
C32 C31 C36 114.7(6) . . ?
C32 C31 C37 123.6(6) . . ?
C36 C31 C37 121.5(6) . . ?
C33 C32 C31 126.4(7) . . ?
C32 C33 C34 115.2(8) . . ?
C35 C34 C33 117.8(7) . . ?
C34 C35 C36 125.8(8) . . ?
C35 C36 C31 119.9(6) . . ?
C36' C31' C32' 116.1(7) . . ?
C36' C31' C37' 115.4(8) . . ?
C32' C31' C37' 128.5(9) . . ?
C33' C32' C31' 124.6(9) . . ?
C32' C33' C34' 115.7(9) . . ?
C35' C34' C33' 118.5(8) . . ?
C34' C35' C36' 125.8(9) . . ?
C35' C36' C31' 119.1(9) . . ?

_refine_diff_density_max         0.373
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.048

_shelxl_version_number           2013-2


_database_code_depnum_ccdc_archive 'CCDC 994910'
