# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_Pt3
_database_code_depnum_ccdc_archive 'CCDC 1061613'
_audit_update_record             
;
2015-04-24 deposited with the CCDC.
2015-07-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H39 N3 O Pt'
_chemical_formula_sum            'C36 H39 N3 O Pt'
_chemical_formula_weight         724.79

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'
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   6.9855(8)
_cell_length_b                   14.6481(17)
_cell_length_c                   29.888(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.743(2)
_cell_angle_gamma                90.00
_cell_volume                     3047.8(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2836
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      21.87

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1448
_exptl_absorpt_coefficient_mu    4.637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3902
_exptl_absorpt_correction_T_max  0.6542
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15830
_diffrn_reflns_av_R_equivalents  0.0742
_diffrn_reflns_av_sigmaI/netI    0.0794
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.95
_diffrn_reflns_theta_max         25.05
_reflns_number_total             5354
_reflns_number_gt                3677
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(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)+(0.0480P)²+0.0000P] 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         5354
_refine_ls_number_parameters     370
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0521
_refine_ls_wR_factor_ref         0.1067
_refine_ls_wR_factor_gt          0.0992
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.005
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.72607(5) 0.22370(2) 0.272098(10) 0.04363(13) Uani 1 1 d . . .
O1 O 0.7413(8) 0.1917(4) 0.33941(19) 0.0577(17) Uani 1 1 d . . .
N1 N 0.9793(9) 0.2833(5) 0.2803(2) 0.0467(17) Uani 1 1 d . . .
C1 C 0.9051(14) 0.1853(7) 0.3649(3) 0.056(2) Uani 1 1 d . . .
N2 N 1.2573(10) 0.3389(5) 0.3089(2) 0.0506(18) Uani 1 1 d . . .
C2 C 0.9020(17) 0.1322(7) 0.4045(3) 0.077(3) Uani 1 1 d . . .
H2A H 0.7855 0.1090 0.4124 0.093 Uiso 1 1 calc R . .
N3 N 0.4722(9) 0.1627(5) 0.2593(2) 0.0478(17) Uani 1 1 d . . .
C3 C 1.066(2) 0.1141(8) 0.4315(3) 0.096(4) Uani 1 1 d . . .
H3A H 1.0589 0.0769 0.4565 0.115 Uiso 1 1 calc R . .
C4 C 1.2397(18) 0.1500(8) 0.4221(3) 0.080(3) Uani 1 1 d . . .
H4A H 1.3509 0.1382 0.4405 0.096 Uiso 1 1 calc R . .
C5 C 1.2433(15) 0.2032(6) 0.3852(3) 0.063(3) Uani 1 1 d . . .
H5A H 1.3615 0.2266 0.3786 0.076 Uiso 1 1 calc R . .
C6 C 1.0838(13) 0.2255(7) 0.3563(3) 0.052(2) Uani 1 1 d . . .
C7 C 1.1044(12) 0.2846(6) 0.3172(3) 0.048(2) Uani 1 1 d . . .
C8 C 1.2280(12) 0.3711(6) 0.2653(3) 0.047(2) Uani 1 1 d . . .
C9 C 1.3395(14) 0.4274(7) 0.2405(3) 0.061(3) Uani 1 1 d . . .
H9A H 1.4559 0.4515 0.2524 0.073 Uiso 1 1 calc R . .
C10 C 1.2679(15) 0.4448(8) 0.1977(3) 0.070(3) Uani 1 1 d . . .
H10A H 1.3360 0.4834 0.1801 0.084 Uiso 1 1 calc R . .
C11 C 1.0946(14) 0.4066(7) 0.1791(3) 0.060(3) Uani 1 1 d . . .
H11A H 1.0573 0.4184 0.1491 0.072 Uiso 1 1 calc R . .
C12 C 0.9771(13) 0.3530(6) 0.2027(3) 0.047(2) Uani 1 1 d . . .
C13 C 1.0519(12) 0.3357(6) 0.2474(2) 0.0411(19) Uani 1 1 d . . .
C14 C 0.7916(12) 0.3113(6) 0.1836(3) 0.046(2) Uani 1 1 d . . .
C15 C 0.7258(14) 0.3334(7) 0.1385(3) 0.061(3) Uani 1 1 d . . .
H15A H 0.8013 0.3714 0.1223 0.074 Uiso 1 1 calc R . .
C16 C 0.5572(16) 0.3015(7) 0.1181(3) 0.063(3) Uani 1 1 d . . .
C17 C 0.4456(14) 0.2458(6) 0.1436(3) 0.061(3) Uani 1 1 d . . .
H17A H 0.3296 0.2231 0.1306 0.073 Uiso 1 1 calc R . .
C18 C 0.5038(13) 0.2238(7) 0.1877(3) 0.054(2) Uani 1 1 d . . .
C19 C 0.6795(12) 0.2561(6) 0.2085(3) 0.046(2) Uani 1 1 d . . .
C20 C 0.3931(12) 0.1694(7) 0.2165(3) 0.053(2) Uani 1 1 d . . .
C21 C 0.2166(14) 0.1270(8) 0.2042(4) 0.074(3) Uani 1 1 d . . .
H21A H 0.1595 0.1316 0.1751 0.089 Uiso 1 1 calc R . .
C22 C 0.1283(14) 0.0774(8) 0.2370(4) 0.079(3) Uani 1 1 d . . .
H22A H 0.0117 0.0482 0.2296 0.094 Uiso 1 1 calc R . .
C23 C 0.2120(15) 0.0719(7) 0.2791(4) 0.073(3) Uani 1 1 d . . .
H23A H 0.1526 0.0398 0.3010 0.087 Uiso 1 1 calc R . .
C24 C 0.3849(14) 0.1138(7) 0.2896(3) 0.064(3) Uani 1 1 d . . .
H24A H 0.4436 0.1082 0.3186 0.077 Uiso 1 1 calc R . .
C25 C 0.4868(18) 0.3258(9) 0.0699(3) 0.081(3) Uani 1 1 d U . .
C26 C 0.380(3) 0.4070(12) 0.0676(5) 0.157(6) Uani 1 1 d U . .
H26A H 0.2670 0.3994 0.0834 0.236 Uiso 1 1 calc R . .
H26B H 0.3434 0.4216 0.0368 0.236 Uiso 1 1 calc R . .
H26C H 0.4568 0.4557 0.0811 0.236 Uiso 1 1 calc R . .
C27 C 0.658(3) 0.3484(14) 0.0420(6) 0.177(7) Uani 1 1 d U . .
H27A H 0.6101 0.3636 0.0119 0.265 Uiso 1 1 calc R . .
H27B H 0.7408 0.2963 0.0416 0.265 Uiso 1 1 calc R . .
H27C H 0.7278 0.3992 0.0553 0.265 Uiso 1 1 calc R . .
C28 C 0.398(3) 0.2493(12) 0.0443(5) 0.167(7) Uani 1 1 d U . .
H28A H 0.2879 0.2282 0.0587 0.251 Uiso 1 1 calc R . .
H28B H 0.4889 0.2005 0.0432 0.251 Uiso 1 1 calc R . .
H28C H 0.3579 0.2690 0.0144 0.251 Uiso 1 1 calc R . .
C29 C 1.4170(12) 0.3733(7) 0.3394(3) 0.063(3) Uani 1 1 d . . .
H29A H 1.5060 0.4054 0.3217 0.076 Uiso 1 1 calc R . .
H29B H 1.4848 0.3216 0.3534 0.076 Uiso 1 1 calc R . .
C30 C 1.3604(14) 0.4355(8) 0.3753(4) 0.076(3) Uani 1 1 d . . .
H30A H 1.2888 0.3968 0.3948 0.091 Uiso 1 1 calc R . .
C31 C 1.230(2) 0.5087(9) 0.3618(4) 0.118(5) Uani 1 1 d . . .
H31A H 1.1164 0.4806 0.3467 0.141 Uiso 1 1 calc R . .
H31B H 1.2897 0.5440 0.3394 0.141 Uiso 1 1 calc R . .
C32 C 1.1611(19) 0.5744(9) 0.3940(4) 0.104(4) Uani 1 1 d . . .
H32A H 1.0783 0.6182 0.3783 0.156 Uiso 1 1 calc R . .
H32B H 1.2690 0.6053 0.4092 0.156 Uiso 1 1 calc R . .
H32C H 1.0913 0.5427 0.4156 0.156 Uiso 1 1 calc R . .
C33 C 1.5411(16) 0.4662(9) 0.4055(5) 0.111(5) Uani 1 1 d . . .
H33A H 1.6238 0.5005 0.3871 0.134 Uiso 1 1 calc R . .
H33B H 1.5001 0.5074 0.4282 0.134 Uiso 1 1 calc R . .
C34 C 1.659(2) 0.3902(11) 0.4289(5) 0.129(5) Uani 1 1 d . . .
H34A H 1.5720 0.3479 0.4417 0.155 Uiso 1 1 calc R . .
H34B H 1.7242 0.3571 0.4064 0.155 Uiso 1 1 calc R . .
C35 C 1.800(2) 0.4179(13) 0.4635(5) 0.161(7) Uani 1 1 d U . .
H35A H 1.7332 0.4345 0.4896 0.194 Uiso 1 1 calc R . .
H35B H 1.8617 0.4726 0.4535 0.194 Uiso 1 1 calc R . .
C36 C 1.948(2) 0.3520(11) 0.4777(5) 0.136(6) Uani 1 1 d U . .
H36A H 2.0355 0.3786 0.5006 0.203 Uiso 1 1 calc R . .
H36B H 2.0173 0.3354 0.4524 0.203 Uiso 1 1 calc R . .
H36C H 1.8903 0.2986 0.4893 0.203 Uiso 1 1 calc R . .


_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
Pt1 C19 1.960(8) . ?
Pt1 N1 1.970(7) . ?
Pt1 N3 1.995(7) . ?
Pt1 O1 2.060(6) . ?
O1 C1 1.324(10) . ?
N1 C7 1.350(9) . ?
N1 C13 1.376(10) . ?
C1 C2 1.418(13) . ?
C1 C6 1.423(13) . ?
N2 C7 1.370(11) . ?
N2 C8 1.385(10) . ?
N2 C29 1.469(10) . ?
C2 C3 1.369(15) . ?
C2 H2A 0.9300 . ?
N3 C24 1.341(11) . ?
N3 C20 1.353(10) . ?
C3 C4 1.374(15) . ?
C3 H3A 0.9300 . ?
C4 C5 1.354(13) . ?
C4 H4A 0.9300 . ?
C5 C6 1.391(12) . ?
C5 H5A 0.9300 . ?
C6 C7 1.470(12) . ?
C8 C9 1.391(12) . ?
C8 C13 1.400(11) . ?
C9 C10 1.357(13) . ?
C9 H9A 0.9300 . ?
C10 C11 1.406(13) . ?
C10 H10A 0.9300 . ?
C11 C12 1.372(12) . ?
C11 H11A 0.9300 . ?
C12 C13 1.416(10) . ?
C12 C14 1.501(12) . ?
C14 C19 1.384(12) . ?
C14 C15 1.425(11) . ?
C15 C16 1.364(13) . ?
C15 H15A 0.9300 . ?
C16 C17 1.396(13) . ?
C16 C25 1.527(12) . ?
C17 C18 1.386(12) . ?
C17 H17A 0.9300 . ?
C18 C19 1.411(11) . ?
C18 C20 1.444(13) . ?
C20 C21 1.403(12) . ?
C21 C22 1.403(15) . ?
C21 H21A 0.9300 . ?
C22 C23 1.346(13) . ?
C22 H22A 0.9300 . ?
C23 C24 1.368(13) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C26 1.402(17) . ?
C25 C28 1.466(18) . ?
C25 C27 1.545(19) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.487(13) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C31 1.444(15) . ?
C30 C33 1.555(13) . ?
C30 H30A 0.9800 . ?
C31 C32 1.469(15) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.522(17) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.425(16) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.455(19) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?

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
C19 Pt1 N1 95.1(3) . . ?
C19 Pt1 N3 81.3(3) . . ?
N1 Pt1 N3 176.0(3) . . ?
C19 Pt1 O1 173.3(3) . . ?
N1 Pt1 O1 90.4(2) . . ?
N3 Pt1 O1 93.4(3) . . ?
C1 O1 Pt1 123.4(5) . . ?
C7 N1 C13 108.9(7) . . ?
C7 N1 Pt1 128.5(6) . . ?
C13 N1 Pt1 122.6(5) . . ?
O1 C1 C2 116.5(9) . . ?
O1 C1 C6 126.6(8) . . ?
C2 C1 C6 116.9(9) . . ?
C7 N2 C8 108.1(7) . . ?
C7 N2 C29 130.6(7) . . ?
C8 N2 C29 120.7(8) . . ?
C3 C2 C1 121.9(11) . . ?
C3 C2 H2A 119.1 . . ?
C1 C2 H2A 119.1 . . ?
C24 N3 C20 120.3(8) . . ?
C24 N3 Pt1 123.8(6) . . ?
C20 N3 Pt1 115.8(6) . . ?
C2 C3 C4 121.1(10) . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C5 C4 C3 117.5(10) . . ?
C5 C4 H4A 121.2 . . ?
C3 C4 H4A 121.2 . . ?
C4 C5 C6 125.0(11) . . ?
C4 C5 H5A 117.5 . . ?
C6 C5 H5A 117.5 . . ?
C5 C6 C1 117.4(9) . . ?
C5 C6 C7 120.3(9) . . ?
C1 C6 C7 122.2(8) . . ?
N1 C7 N2 108.8(7) . . ?
N1 C7 C6 122.8(8) . . ?
N2 C7 C6 127.9(7) . . ?
N2 C8 C9 131.2(8) . . ?
N2 C8 C13 106.9(8) . . ?
C9 C8 C13 121.9(8) . . ?
C10 C9 C8 115.8(9) . . ?
C10 C9 H9A 122.1 . . ?
C8 C9 H9A 122.1 . . ?
C9 C10 C11 122.4(10) . . ?
C9 C10 H10A 118.8 . . ?
C11 C10 H10A 118.8 . . ?
C12 C11 C10 123.8(9) . . ?
C12 C11 H11A 118.1 . . ?
C10 C11 H11A 118.1 . . ?
C11 C12 C13 113.4(8) . . ?
C11 C12 C14 124.9(8) . . ?
C13 C12 C14 121.6(8) . . ?
N1 C13 C8 107.3(7) . . ?
N1 C13 C12 130.1(8) . . ?
C8 C13 C12 122.6(8) . . ?
C19 C14 C15 119.2(8) . . ?
C19 C14 C12 122.9(7) . . ?
C15 C14 C12 117.9(8) . . ?
C16 C15 C14 123.0(9) . . ?
C16 C15 H15A 118.5 . . ?
C14 C15 H15A 118.5 . . ?
C15 C16 C17 117.2(8) . . ?
C15 C16 C25 122.8(10) . . ?
C17 C16 C25 120.0(9) . . ?
C18 C17 C16 121.4(9) . . ?
C18 C17 H17A 119.3 . . ?
C16 C17 H17A 119.3 . . ?
C17 C18 C19 121.1(9) . . ?
C17 C18 C20 124.6(8) . . ?
C19 C18 C20 114.3(7) . . ?
C14 C19 C18 118.0(8) . . ?
C14 C19 Pt1 127.3(6) . . ?
C18 C19 Pt1 114.5(7) . . ?
N3 C20 C21 119.7(9) . . ?
N3 C20 C18 114.0(7) . . ?
C21 C20 C18 126.2(9) . . ?
C22 C21 C20 118.3(10) . . ?
C22 C21 H21A 120.8 . . ?
C20 C21 H21A 120.8 . . ?
C23 C22 C21 120.1(9) . . ?
C23 C22 H22A 119.9 . . ?
C21 C22 H22A 119.9 . . ?
C22 C23 C24 119.6(10) . . ?
C22 C23 H23A 120.2 . . ?
C24 C23 H23A 120.2 . . ?
N3 C24 C23 121.8(10) . . ?
N3 C24 H24A 119.1 . . ?
C23 C24 H24A 119.1 . . ?
C26 C25 C28 115.0(14) . . ?
C26 C25 C16 111.8(10) . . ?
C28 C25 C16 113.7(12) . . ?
C26 C25 C27 102.9(13) . . ?
C28 C25 C27 101.3(12) . . ?
C16 C25 C27 110.9(11) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N2 C29 C30 115.1(8) . . ?
N2 C29 H29A 108.5 . . ?
C30 C29 H29A 108.5 . . ?
N2 C29 H29B 108.5 . . ?
C30 C29 H29B 108.5 . . ?
H29A C29 H29B 107.5 . . ?
C31 C30 C29 117.0(10) . . ?
C31 C30 C33 114.3(10) . . ?
C29 C30 C33 110.1(9) . . ?
C31 C30 H30A 104.7 . . ?
C29 C30 H30A 104.7 . . ?
C33 C30 H30A 104.7 . . ?
C30 C31 C32 122.4(11) . . ?
C30 C31 H31A 106.7 . . ?
C32 C31 H31A 106.7 . . ?
C30 C31 H31B 106.7 . . ?
C32 C31 H31B 106.7 . . ?
H31A C31 H31B 106.6 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C30 116.0(11) . . ?
C34 C33 H33A 108.3 . . ?
C30 C33 H33A 108.3 . . ?
C34 C33 H33B 108.3 . . ?
C30 C33 H33B 108.3 . . ?
H33A C33 H33B 107.4 . . ?
C35 C34 C33 116.1(14) . . ?
C35 C34 H34A 108.3 . . ?
C33 C34 H34A 108.3 . . ?
C35 C34 H34B 108.3 . . ?
C33 C34 H34B 108.3 . . ?
H34A C34 H34B 107.4 . . ?
C34 C35 C36 116.9(16) . . ?
C34 C35 H35A 108.1 . . ?
C36 C35 H35A 108.1 . . ?
C34 C35 H35B 108.1 . . ?
C36 C35 H35B 108.1 . . ?
H35A C35 H35B 107.3 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.414
_refine_diff_density_min         -2.322
_refine_diff_density_rms         0.120

