# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_author_name                'Zhong-Ning Chen'
_publ_contact_author_name        'Zhong-Ning Chen '
_publ_contact_author_email       czn@fjirsm.ac.cn

data_3
_database_code_depnum_ccdc_archive 'CCDC 816913'
#TrackingRef '- 3.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H17 F6 N6 P Pt'
_chemical_formula_weight         717.49

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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n
_symmetry_space_group_name_Hall  '-P 2yn'

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                   10.366(3)
_cell_length_b                   8.354(2)
_cell_length_c                   26.570(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.6600(10)
_cell_angle_gamma                90.00
_cell_volume                     2285.3(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5647
_cell_measurement_theta_min      3.0852
_cell_measurement_theta_max      27.4797

_exptl_crystal_description       Prism
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.1000
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.1000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376
_exptl_absorpt_coefficient_mu    6.286
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.148
_exptl_absorpt_correction_T_max  0.533
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
????
;

_diffrn_ambient_temperature      293(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  'Saturn 70 CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13811
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.14
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3945
_reflns_number_gt                3562
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0900P)^2^+0.0100P] where P=(Fo^2^+2Fc^2^)/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         3945
_refine_ls_number_parameters     334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.1191
_refine_ls_wR_factor_gt          0.1126
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.000
_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 0.52811(2) 0.79711(3) 0.075528(8) 0.02378(14) Uani 1 1 d . . .
P1 P 0.98719(19) 0.6378(2) 0.18169(9) 0.0467(5) Uani 1 1 d . . .
F1 F 1.0868(9) 0.7332(12) 0.1585(4) 0.130(4) Uani 1 1 d . . .
F2 F 0.8936(9) 0.7794(9) 0.1932(4) 0.120(3) Uani 1 1 d . . .
F3 F 0.9113(8) 0.5750(12) 0.1343(3) 0.129(3) Uani 1 1 d . . .
F4 F 0.8987(10) 0.5266(11) 0.2134(3) 0.140(4) Uani 1 1 d . . .
F5 F 1.0832(8) 0.4948(10) 0.1809(3) 0.131(3) Uani 1 1 d . . .
F6 F 1.0614(8) 0.6882(10) 0.2365(3) 0.112(3) Uani 1 1 d . . .
N1 N 0.6590(5) 0.9569(6) 0.11048(19) 0.0295(11) Uani 1 1 d . . .
N2 N 0.7760(5) 1.0079(7) 0.0376(2) 0.0362(13) Uani 1 1 d . . .
N3 N 0.5889(5) 0.8467(7) 0.00975(19) 0.0272(11) Uani 1 1 d . . .
N4 N 0.4480(5) 0.6753(7) -0.0452(2) 0.0313(12) Uani 1 1 d . . .
N5 N 0.3795(5) 0.6607(6) 0.0395(2) 0.0284(11) Uani 1 1 d . . .
N6 N 0.4936(6) 0.7131(6) 0.1449(2) 0.0281(13) Uani 1 1 d . . .
C1 C 0.6467(6) 1.0053(9) 0.1579(3) 0.0377(15) Uani 1 1 d . . .
H1 H 0.5821 0.9575 0.1742 0.045 Uiso 1 1 calc R . .
C2 C 0.7213(7) 1.1186(9) 0.1838(3) 0.0425(17) Uani 1 1 d . . .
H2 H 0.7084 1.1450 0.2169 0.051 Uiso 1 1 calc R . .
C3 C 0.8159(8) 1.1932(8) 0.1605(3) 0.046(2) Uani 1 1 d . . .
H3 H 0.8678 1.2721 0.1772 0.055 Uiso 1 1 calc R . .
C4 C 0.8324(7) 1.1489(9) 0.1118(3) 0.0423(17) Uani 1 1 d . . .
H4 H 0.8978 1.1960 0.0957 0.051 Uiso 1 1 calc R . .
C5 C 0.7519(6) 1.0340(7) 0.0863(3) 0.0349(15) Uani 1 1 d . . .
C6 C 0.7009(6) 0.9274(8) 0.0039(3) 0.0350(15) Uani 1 1 d . . .
C7 C 0.7295(7) 0.9074(9) -0.0480(3) 0.0394(16) Uani 1 1 d . . .
C8 C 0.8348(8) 0.9631(10) -0.0722(3) 0.0491(19) Uani 1 1 d . . .
H8 H 0.9012 1.0249 -0.0556 0.059 Uiso 1 1 calc R . .
C9 C 0.8323(8) 0.9190(11) -0.1227(3) 0.053(2) Uani 1 1 d . . .
H9 H 0.8989 0.9538 -0.1406 0.063 Uiso 1 1 calc R . .
C10 C 0.7344(9) 0.8249(11) -0.1473(3) 0.054(2) Uani 1 1 d . . .
H10 H 0.7386 0.7962 -0.1809 0.065 Uiso 1 1 calc R . .
C11 C 0.6301(8) 0.7722(9) -0.1232(3) 0.0415(17) Uani 1 1 d . . .
H11 H 0.5634 0.7109 -0.1399 0.050 Uiso 1 1 calc R . .
C12 C 0.6309(7) 0.8158(8) -0.0731(3) 0.0360(16) Uani 1 1 d . . .
C13 C 0.5454(7) 0.7710(8) -0.0350(2) 0.0306(15) Uani 1 1 d . . .
C14 C 0.3672(6) 0.6257(8) -0.0112(2) 0.0301(14) Uani 1 1 d . . .
C15 C 0.2626(6) 0.5285(8) -0.0322(3) 0.0353(16) Uani 1 1 d . . .
H15 H 0.2564 0.5022 -0.0664 0.042 Uiso 1 1 calc R . .
C16 C 0.1706(6) 0.4721(8) -0.0039(3) 0.0368(15) Uani 1 1 d . . .
H16 H 0.1026 0.4083 -0.0183 0.044 Uiso 1 1 calc R . .
C17 C 0.1822(6) 0.5129(8) 0.0465(3) 0.0363(15) Uani 1 1 d . . .
H17 H 0.1208 0.4781 0.0669 0.044 Uiso 1 1 calc R . .
C18 C 0.2847(6) 0.6052(8) 0.0664(2) 0.0325(14) Uani 1 1 d . . .
H18 H 0.2900 0.6318 0.1006 0.039 Uiso 1 1 calc R . .
C19 C 0.3996(8) 0.7726(11) 0.1720(3) 0.0418(18) Uani 1 1 d . . .
H19 H 0.3480 0.8568 0.1585 0.050 Uiso 1 1 calc R . .
C20 C 0.3791(8) 0.7116(11) 0.2185(3) 0.048(2) Uani 1 1 d . . .
H20 H 0.3151 0.7545 0.2363 0.058 Uiso 1 1 calc R . .
C21 C 0.4550(8) 0.5854(11) 0.2384(3) 0.053(2) Uani 1 1 d . . .
H21 H 0.4412 0.5388 0.2691 0.064 Uiso 1 1 calc R . .
C22 C 0.5517(9) 0.5310(9) 0.2113(3) 0.053(2) Uani 1 1 d . . .
H22 H 0.6080 0.4511 0.2247 0.063 Uiso 1 1 calc R . .
C23 C 0.5649(7) 0.5938(9) 0.1650(3) 0.0394(16) Uani 1 1 d . . .
H23 H 0.6274 0.5504 0.1465 0.047 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.0237(2) 0.01886(19) 0.02854(19) 0.00105(8) 0.00179(12) 0.00307(8)
P1 0.0366(10) 0.0305(10) 0.0738(13) -0.0099(10) 0.0094(9) -0.0074(8)
F1 0.122(7) 0.144(7) 0.125(7) 0.026(6) 0.010(6) -0.092(6)
F2 0.137(7) 0.095(6) 0.118(6) -0.032(5) -0.022(5) 0.068(5)
F3 0.130(6) 0.158(8) 0.089(5) -0.032(5) -0.022(4) -0.051(6)
F4 0.189(8) 0.114(6) 0.139(6) -0.059(6) 0.110(6) -0.047(6)
F5 0.137(6) 0.104(6) 0.157(7) -0.021(6) 0.040(6) 0.059(5)
F6 0.090(5) 0.143(8) 0.103(6) -0.047(5) 0.006(4) 0.007(4)
N1 0.028(3) 0.023(3) 0.036(3) -0.006(2) -0.003(2) 0.004(2)
N2 0.032(3) 0.031(3) 0.045(3) 0.011(3) 0.001(2) -0.002(3)
N3 0.028(3) 0.023(3) 0.032(3) 0.008(2) 0.007(2) 0.007(2)
N4 0.034(3) 0.030(3) 0.030(3) -0.003(2) 0.001(2) 0.011(3)
N5 0.025(3) 0.019(2) 0.039(3) 0.004(2) -0.003(2) 0.006(2)
N6 0.030(3) 0.028(3) 0.025(3) -0.001(2) -0.002(2) -0.001(2)
C1 0.030(3) 0.032(4) 0.051(4) -0.002(3) 0.006(3) -0.003(3)
C2 0.037(4) 0.037(4) 0.048(4) -0.010(3) -0.016(3) 0.001(3)
C3 0.044(4) 0.024(4) 0.066(5) -0.011(3) -0.013(4) -0.002(3)
C4 0.038(4) 0.029(4) 0.057(4) 0.007(4) -0.005(3) -0.003(3)
C5 0.027(3) 0.015(3) 0.060(4) 0.009(3) -0.004(3) -0.002(3)
C6 0.030(3) 0.020(3) 0.058(4) 0.011(3) 0.013(3) 0.005(3)
C7 0.037(4) 0.034(4) 0.049(4) 0.015(3) 0.015(3) 0.009(3)
C8 0.044(4) 0.049(5) 0.058(4) 0.015(4) 0.021(4) 0.017(4)
C9 0.043(4) 0.062(5) 0.057(5) 0.028(4) 0.022(4) 0.020(4)
C10 0.065(6) 0.062(5) 0.038(4) 0.012(4) 0.016(4) 0.027(5)
C11 0.045(4) 0.041(4) 0.040(4) 0.000(3) 0.010(3) 0.013(3)
C12 0.038(4) 0.027(3) 0.045(4) 0.012(3) 0.009(3) 0.015(3)
C13 0.030(4) 0.034(4) 0.027(3) 0.004(3) 0.001(3) 0.014(3)
C14 0.032(3) 0.022(3) 0.034(3) 0.000(3) -0.002(3) 0.008(3)
C15 0.030(3) 0.032(4) 0.043(3) -0.018(3) -0.002(3) 0.010(3)
C16 0.022(3) 0.031(4) 0.054(4) -0.004(3) -0.007(3) 0.000(3)
C17 0.028(3) 0.032(4) 0.049(4) 0.003(3) 0.002(3) -0.001(3)
C18 0.032(3) 0.037(4) 0.028(3) 0.003(3) 0.001(3) -0.005(3)
C19 0.033(4) 0.057(5) 0.035(4) 0.001(3) -0.001(3) 0.006(3)
C20 0.032(4) 0.080(7) 0.033(4) -0.014(4) 0.003(3) -0.008(4)
C21 0.070(5) 0.065(6) 0.023(3) 0.002(4) -0.002(3) -0.013(5)
C22 0.084(6) 0.032(4) 0.041(4) 0.006(3) -0.002(4) 0.005(4)
C23 0.047(4) 0.034(4) 0.036(3) -0.007(3) 0.000(3) 0.005(3)

_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 N3 1.970(5) . ?
Pt1 N6 2.043(6) . ?
Pt1 N1 2.048(5) . ?
Pt1 N5 2.061(5) . ?
P1 F1 1.492(7) . ?
P1 F3 1.499(7) . ?
P1 F5 1.557(7) . ?
P1 F2 1.581(7) . ?
P1 F4 1.610(8) . ?
P1 F6 1.621(8) . ?
N1 C1 1.342(9) . ?
N1 C5 1.378(9) . ?
N2 C6 1.302(9) . ?
N2 C5 1.365(9) . ?
N3 C6 1.367(8) . ?
N3 C13 1.376(9) . ?
N4 C13 1.292(9) . ?
N4 C14 1.365(9) . ?
N5 C18 1.363(8) . ?
N5 C14 1.369(8) . ?
N6 C23 1.316(9) . ?
N6 C19 1.369(10) . ?
C1 C2 1.358(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.370(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.374(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.395(10) . ?
C4 H4 0.9300 . ?
C6 C7 1.453(10) . ?
C7 C12 1.384(11) . ?
C7 C8 1.410(10) . ?
C8 C9 1.387(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.387(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.392(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(11) . ?
C11 H11 0.9300 . ?
C12 C13 1.468(10) . ?
C14 C15 1.417(9) . ?
C15 C16 1.364(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.373(10) . ?
C16 H16 0.9300 . ?
C17 C18 1.369(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.377(12) . ?
C19 H19 0.9300 . ?
C20 C21 1.383(13) . ?
C20 H20 0.9300 . ?
C21 C22 1.378(12) . ?
C21 H21 0.9300 . ?
C22 C23 1.359(10) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?

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
N3 Pt1 N6 168.7(2) . . ?
N3 Pt1 N1 90.1(2) . . ?
N6 Pt1 N1 89.5(2) . . ?
N3 Pt1 N5 90.2(2) . . ?
N6 Pt1 N5 91.7(2) . . ?
N1 Pt1 N5 172.6(2) . . ?
F1 P1 F3 99.3(5) . . ?
F1 P1 F5 86.0(6) . . ?
F3 P1 F5 89.7(5) . . ?
F1 P1 F2 98.6(6) . . ?
F3 P1 F2 98.6(5) . . ?
F5 P1 F2 169.7(5) . . ?
F1 P1 F4 170.8(6) . . ?
F3 P1 F4 87.8(5) . . ?
F5 P1 F4 88.2(5) . . ?
F2 P1 F4 86.1(5) . . ?
F1 P1 F6 87.3(5) . . ?
F3 P1 F6 173.0(5) . . ?
F5 P1 F6 88.5(4) . . ?
F2 P1 F6 82.6(4) . . ?
F4 P1 F6 85.4(5) . . ?
C1 N1 C5 116.3(6) . . ?
C1 N1 Pt1 119.5(5) . . ?
C5 N1 Pt1 123.8(4) . . ?
C6 N2 C5 125.0(6) . . ?
C6 N3 C13 109.1(6) . . ?
C6 N3 Pt1 124.6(5) . . ?
C13 N3 Pt1 124.3(5) . . ?
C13 N4 C14 125.1(6) . . ?
C18 N5 C14 117.0(5) . . ?
C18 N5 Pt1 119.3(4) . . ?
C14 N5 Pt1 123.7(4) . . ?
C23 N6 C19 117.6(6) . . ?
C23 N6 Pt1 118.4(5) . . ?
C19 N6 Pt1 124.0(5) . . ?
N1 C1 C2 125.2(7) . . ?
N1 C1 H1 117.4 . . ?
C2 C1 H1 117.4 . . ?
C1 C2 C3 118.9(7) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C2 C3 C4 118.5(7) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C3 C4 C5 120.6(7) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
N2 C5 N1 125.6(6) . . ?
N2 C5 C4 114.0(6) . . ?
N1 C5 C4 120.5(7) . . ?
N2 C6 N3 128.7(6) . . ?
N2 C6 C7 122.6(6) . . ?
N3 C6 C7 108.7(6) . . ?
C12 C7 C8 122.0(7) . . ?
C12 C7 C6 107.5(6) . . ?
C8 C7 C6 130.5(7) . . ?
C9 C8 C7 115.2(8) . . ?
C9 C8 H8 122.4 . . ?
C7 C8 H8 122.4 . . ?
C10 C9 C8 122.5(8) . . ?
C10 C9 H9 118.7 . . ?
C8 C9 H9 118.7 . . ?
C9 C10 C11 121.8(8) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 H10 119.1 . . ?
C12 C11 C10 116.3(8) . . ?
C12 C11 H11 121.8 . . ?
C10 C11 H11 121.8 . . ?
C11 C12 C7 122.2(7) . . ?
C11 C12 C13 131.3(7) . . ?
C7 C12 C13 106.3(6) . . ?
N4 C13 N3 129.4(6) . . ?
N4 C13 C12 122.3(6) . . ?
N3 C13 C12 108.3(6) . . ?
N4 C14 N5 126.2(6) . . ?
N4 C14 C15 114.5(6) . . ?
N5 C14 C15 119.3(6) . . ?
C16 C15 C14 122.2(6) . . ?
C16 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
C15 C16 C17 117.6(6) . . ?
C15 C16 H16 121.2 . . ?
C17 C16 H16 121.2 . . ?
C18 C17 C16 119.6(6) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
N5 C18 C17 124.2(6) . . ?
N5 C18 H18 117.9 . . ?
C17 C18 H18 117.9 . . ?
N6 C19 C20 122.0(8) . . ?
N6 C19 H19 119.0 . . ?
C20 C19 H19 119.0 . . ?
C19 C20 C21 119.0(8) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 117.9(7) . . ?
C22 C21 H21 121.0 . . ?
C20 C21 H21 121.0 . . ?
C23 C22 C21 120.1(8) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
N6 C23 C22 123.2(7) . . ?
N6 C23 H23 118.4 . . ?
C22 C23 H23 118.4 . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         2.267
_refine_diff_density_min         -2.019
_refine_diff_density_rms         0.159