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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  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
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_vopc_long_dkred
_audit_creation_date             2014-06-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.06.18 svn.r2945 for OlexSys, GUI svn.r4846)
;
_shelxl_version_number           2014-2
_chemical_name_common            'Vanadium oxide phthalocyanine'
_chemical_name_systematic        'Vanadyl phthalocyanine'
_chemical_formula_moiety         'C32 H16 N8 O V'
_chemical_formula_sum            'C32 H16 N8 O V'
_chemical_formula_weight         579.47
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C32 H16 N8 O1 V1'
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'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7236(5)
_cell_length_b                   12.0048(7)
_cell_length_c                   12.6103(8)
_cell_angle_alpha                68.024(6)
_cell_angle_beta                 83.699(5)
_cell_angle_gamma                85.600(5)
_cell_volume                     1216.34(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3607
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4040
_cell_measurement_theta_min      3.4990
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.455
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark green'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             590
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method Sublimation
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.914
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8441
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.914
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.654
_diffrn_reflns_theta_min         3.260
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.2833
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -57.00  125.00   1.0000  200.0000
omega____ theta____ kappa____ phi______ frames
    -       29.0427   38.0000 -120.0000 182

#__ type_ start__ end____ width___ exp.time_
  2 omega   19.00   55.00   1.0000  200.0000
omega____ theta____ kappa____ phi______ frames
    -       29.0427  -77.0000 -180.0000 36

#__ type_ start__ end____ width___ exp.time_
  3 omega  -11.00   68.00   1.0000  200.0000
omega____ theta____ kappa____ phi______ frames
    -       29.0427  -99.0000  -60.0000 79

#__ type_ start__ end____ width___ exp.time_
  4 omega  -15.00   83.00   1.0000  200.0000
omega____ theta____ kappa____ phi______ frames
    -       29.0427  -99.0000   60.0000 98

#__ type_ start__ end____ width___ exp.time_
  5 omega  -25.00   23.00   1.0000  200.0000
omega____ theta____ kappa____ phi______ frames
    -       29.0427  -99.0000   30.0000 48

#__ type_ start__ end____ width___ exp.time_
  6 omega  -74.00  -27.00   1.0000  200.0000
omega____ theta____ kappa____ phi______ frames
    -       29.0427  -77.0000 -180.0000 47
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0780469000
_diffrn_orient_matrix_UB_12      0.0102296000
_diffrn_orient_matrix_UB_13      -0.0224073000
_diffrn_orient_matrix_UB_21      0.0180387000
_diffrn_orient_matrix_UB_22      0.0033601000
_diffrn_orient_matrix_UB_23      0.0521902000
_diffrn_orient_matrix_UB_31      0.0168807000
_diffrn_orient_matrix_UB_32      -0.0628464000
_diffrn_orient_matrix_UB_33      0.0219456000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3968
_reflns_number_total             5196
_reflns_odcompleteness_completeness 99.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.387
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5196
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0494
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0423P)²+0.5766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1049
_refine_ls_wR_factor_ref         0.1164
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C13(H13), C14(H14), C15(H15), C16(H16),
 C22(H22), C23(H23), C24(H24), C25(H25), C31(H31), C32(H32), C33(H33), C34(H34)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
N1 N -0.0411(2) 0.22277(19) -0.21415(18) 0.0218(5) Uani 1 1 d . . . . .
O1 O 0.2875(2) 0.30529(16) -0.05257(15) 0.0245(4) Uani 1 1 d . . . . .
V1 V 0.15004(5) 0.21847(4) 0.01388(4) 0.01931(14) Uani 1 1 d . . . . .
C2 C -0.0936(3) 0.2972(2) -0.1606(2) 0.0205(6) Uani 1 1 d . . . . .
N2 N -0.0483(2) 0.29895(19) -0.05937(18) 0.0203(5) Uani 1 1 d . . . . .
C3 C -0.2167(3) 0.3891(2) -0.2010(2) 0.0214(6) Uani 1 1 d . . . . .
C4 C -0.3005(3) 0.4248(2) -0.2979(2) 0.0239(6) Uani 1 1 d . . . . .
H4 H -0.2801 0.3890 -0.3539 0.029 Uiso 1 1 calc R . . . .
C5 C -0.4149(3) 0.5148(3) -0.3086(2) 0.0288(7) Uani 1 1 d . . . . .
H5 H -0.4735 0.5413 -0.3734 0.035 Uiso 1 1 calc R . . . .
C6 C -0.4454(3) 0.5676(3) -0.2249(2) 0.0287(7) Uani 1 1 d . . . . .
H6 H -0.5249 0.6283 -0.2344 0.034 Uiso 1 1 calc R . . . .
C7 C -0.3625(3) 0.5328(2) -0.1294(2) 0.0250(6) Uani 1 1 d . . . . .
H7 H -0.3827 0.5688 -0.0736 0.030 Uiso 1 1 calc R . . . .
C8 C -0.2474(3) 0.4422(2) -0.1189(2) 0.0216(6) Uani 1 1 d . . . . .
C9 C -0.1407(3) 0.3849(2) -0.0313(2) 0.0208(6) Uani 1 1 d . . . . .
N10 N -0.1407(2) 0.41266(19) 0.06184(18) 0.0206(5) Uani 1 1 d . . . . .
C11 C -0.0471(3) 0.3573(2) 0.1441(2) 0.0200(6) Uani 1 1 d . . . . .
N11 N 0.0657(2) 0.26790(18) 0.14800(18) 0.0198(5) Uani 1 1 d . . . . .
C12 C -0.0568(3) 0.3807(2) 0.2503(2) 0.0203(6) Uani 1 1 d . . . . .
C13 C -0.1545(3) 0.4578(2) 0.2902(2) 0.0235(6) Uani 1 1 d . . . . .
H13 H -0.2276 0.5117 0.2438 0.028 Uiso 1 1 calc R . . . .
C14 C -0.1390(3) 0.4514(2) 0.4011(2) 0.0266(6) Uani 1 1 d . . . . .
H14 H -0.2037 0.5021 0.4310 0.032 Uiso 1 1 calc R . . . .
C15 C -0.0307(3) 0.3725(2) 0.4699(2) 0.0260(6) Uani 1 1 d . . . . .
H15 H -0.0246 0.3701 0.5455 0.031 Uiso 1 1 calc R . . . .
C16 C 0.0678(3) 0.2975(2) 0.4293(2) 0.0217(6) Uani 1 1 d . . . . .
H16 H 0.1425 0.2451 0.4751 0.026 Uiso 1 1 calc R . . . .
C17 C 0.0523(3) 0.3024(2) 0.3183(2) 0.0201(6) Uani 1 1 d . . . . .
C18 C 0.1259(3) 0.2316(2) 0.2531(2) 0.0206(6) Uani 1 1 d . . . . .
N19 N 0.2282(2) 0.14118(19) 0.29662(18) 0.0216(5) Uani 1 1 d . . . . .
C20 C 0.2803(3) 0.0675(2) 0.2425(2) 0.0210(6) Uani 1 1 d . . . . .
N20 N 0.2495(2) 0.07374(19) 0.13463(18) 0.0201(5) Uani 1 1 d . . . . .
C21 C 0.3802(3) -0.0376(2) 0.2942(2) 0.0210(6) Uani 1 1 d . . . . .
C22 C 0.4411(3) -0.0841(2) 0.4010(2) 0.0243(6) Uani 1 1 d . . . . .
H22 H 0.4173 -0.0475 0.4561 0.029 Uiso 1 1 calc R . . . .
C23 C 0.5382(3) -0.1864(3) 0.4232(3) 0.0290(7) Uani 1 1 d . . . . .
H23 H 0.5823 -0.2199 0.4946 0.035 Uiso 1 1 calc R . . . .
C24 C 0.5720(3) -0.2410(3) 0.3421(3) 0.0301(7) Uani 1 1 d . . . . .
H24 H 0.6400 -0.3100 0.3596 0.036 Uiso 1 1 calc R . . . .
C25 C 0.5086(3) -0.1968(2) 0.2364(2) 0.0258(6) Uani 1 1 d . . . . .
H25 H 0.5306 -0.2348 0.1823 0.031 Uiso 1 1 calc R . . . .
C26 C 0.4113(3) -0.0939(2) 0.2139(2) 0.0217(6) Uani 1 1 d . . . . .
C27 C 0.3251(3) -0.0235(2) 0.1153(2) 0.0209(6) Uani 1 1 d . . . . .
N28 N 0.3213(2) -0.05450(19) 0.02442(18) 0.0214(5) Uani 1 1 d . . . . .
C29 C 0.2329(3) 0.0040(2) -0.0605(2) 0.0206(6) Uani 1 1 d . . . . .
N29 N 0.1368(2) 0.10565(19) -0.07214(18) 0.0207(5) Uani 1 1 d . . . . .
C30 C 0.2212(3) -0.0326(2) -0.1575(2) 0.0212(6) Uani 1 1 d . . . . .
C31 C 0.2979(3) -0.1239(2) -0.1889(2) 0.0233(6) Uani 1 1 d . . . . .
H31 H 0.3705 -0.1784 -0.1425 0.028 Uiso 1 1 calc R . . . .
C32 C 0.2628(3) -0.1311(2) -0.2918(2) 0.0264(6) Uani 1 1 d . . . . .
H32 H 0.3149 -0.1906 -0.3167 0.032 Uiso 1 1 calc R . . . .
C33 C 0.1524(3) -0.0526(2) -0.3592(2) 0.0256(6) Uani 1 1 d . . . . .
H33 H 0.1301 -0.0609 -0.4279 0.031 Uiso 1 1 calc R . . . .
C34 C 0.0752(3) 0.0372(2) -0.3265(2) 0.0229(6) Uani 1 1 d . . . . .
H34 H -0.0007 0.0895 -0.3711 0.028 Uiso 1 1 calc R . . . .
C35 C 0.1134(3) 0.0473(2) -0.2258(2) 0.0209(6) Uani 1 1 d . . . . .
C36 C 0.0624(3) 0.1330(2) -0.1707(2) 0.0206(6) Uani 1 1 d . . . . .


_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
N1 C2 1.336(3) . ?
N1 C36 1.340(3) . ?
O1 V1 1.5946(18) . ?
V1 N2 2.051(2) . ?
V1 N11 2.041(2) . ?
V1 N20 2.042(2) . ?
V1 N29 2.043(2) . ?
C2 N2 1.385(3) . ?
C2 C3 1.466(4) . ?
N2 C9 1.387(3) . ?
C3 C4 1.403(4) . ?
C3 C8 1.399(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.391(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.414(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.384(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.401(4) . ?
C8 C9 1.455(3) . ?
C9 N10 1.335(3) . ?
N10 C11 1.331(3) . ?
C11 N11 1.390(3) . ?
C11 C12 1.460(3) . ?
N11 C18 1.382(3) . ?
C12 C13 1.404(4) . ?
C12 C17 1.401(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.392(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.404(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.393(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.399(4) . ?
C17 C18 1.461(4) . ?
C18 N19 1.337(3) . ?
N19 C20 1.334(3) . ?
C20 N20 1.388(3) . ?
C20 C21 1.454(4) . ?
N20 C27 1.385(3) . ?
C21 C22 1.400(4) . ?
C21 C26 1.407(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.392(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.402(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.397(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.398(4) . ?
C26 C27 1.466(4) . ?
C27 N28 1.335(3) . ?
N28 C29 1.330(3) . ?
C29 N29 1.396(3) . ?
C29 C30 1.462(4) . ?
N29 C36 1.383(3) . ?
C30 C31 1.400(4) . ?
C30 C35 1.403(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.400(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.407(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.395(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.399(4) . ?
C35 C36 1.461(4) . ?

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
C2 N1 C36 122.3(2) . . ?
O1 V1 N2 107.22(9) . . ?
O1 V1 N11 106.45(9) . . ?
O1 V1 N20 105.65(9) . . ?
O1 V1 N29 106.14(9) . . ?
N11 V1 N2 85.74(8) . . ?
N11 V1 N20 85.59(8) . . ?
N11 V1 N29 147.41(9) . . ?
N20 V1 N2 147.12(9) . . ?
N20 V1 N29 85.36(8) . . ?
N29 V1 N2 85.09(8) . . ?
N1 C2 N2 127.4(2) . . ?
N1 C2 C3 123.4(2) . . ?
N2 C2 C3 109.3(2) . . ?
C2 N2 V1 125.39(17) . . ?
C2 N2 C9 107.7(2) . . ?
C9 N2 V1 125.54(17) . . ?
C4 C3 C2 132.2(3) . . ?
C8 C3 C2 106.6(2) . . ?
C8 C3 C4 121.2(2) . . ?
C3 C4 H4 121.4 . . ?
C5 C4 C3 117.2(3) . . ?
C5 C4 H4 121.4 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.2(3) . . ?
C6 C5 H5 119.4 . . ?
C5 C6 H6 119.2 . . ?
C7 C6 C5 121.6(3) . . ?
C7 C6 H6 119.2 . . ?
C6 C7 H7 121.5 . . ?
C6 C7 C8 117.0(3) . . ?
C8 C7 H7 121.5 . . ?
C3 C8 C7 121.8(2) . . ?
C3 C8 C9 106.8(2) . . ?
C7 C8 C9 131.5(2) . . ?
N2 C9 C8 109.6(2) . . ?
N10 C9 N2 127.7(2) . . ?
N10 C9 C8 122.6(2) . . ?
C11 N10 C9 122.7(2) . . ?
N10 C11 N11 128.0(2) . . ?
N10 C11 C12 122.4(2) . . ?
N11 C11 C12 109.5(2) . . ?
C11 N11 V1 125.87(17) . . ?
C18 N11 V1 125.92(17) . . ?
C18 N11 C11 107.6(2) . . ?
C13 C12 C11 131.9(2) . . ?
C17 C12 C11 106.6(2) . . ?
C17 C12 C13 121.5(2) . . ?
C12 C13 H13 121.6 . . ?
C14 C13 C12 116.7(2) . . ?
C14 C13 H13 121.6 . . ?
C13 C14 H14 119.0 . . ?
C13 C14 C15 122.0(3) . . ?
C15 C14 H14 119.0 . . ?
C14 C15 H15 119.4 . . ?
C16 C15 C14 121.1(3) . . ?
C16 C15 H15 119.4 . . ?
C15 C16 H16 121.3 . . ?
C15 C16 C17 117.4(2) . . ?
C17 C16 H16 121.3 . . ?
C12 C17 C18 106.6(2) . . ?
C16 C17 C12 121.3(2) . . ?
C16 C17 C18 131.9(2) . . ?
N11 C18 C17 109.7(2) . . ?
N19 C18 N11 127.7(2) . . ?
N19 C18 C17 122.5(2) . . ?
C20 N19 C18 122.2(2) . . ?
N19 C20 N20 128.2(2) . . ?
N19 C20 C21 122.3(2) . . ?
N20 C20 C21 109.5(2) . . ?
C20 N20 V1 125.38(17) . . ?
C27 N20 V1 125.56(17) . . ?
C27 N20 C20 107.9(2) . . ?
C22 C21 C20 131.7(2) . . ?
C22 C21 C26 121.5(2) . . ?
C26 C21 C20 106.9(2) . . ?
C21 C22 H22 121.4 . . ?
C23 C22 C21 117.2(3) . . ?
C23 C22 H22 121.4 . . ?
C22 C23 H23 119.3 . . ?
C22 C23 C24 121.3(3) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 119.1 . . ?
C25 C24 C23 121.8(3) . . ?
C25 C24 H24 119.1 . . ?
C24 C25 H25 121.5 . . ?
C24 C25 C26 117.0(3) . . ?
C26 C25 H25 121.5 . . ?
C21 C26 C27 106.3(2) . . ?
C25 C26 C21 121.2(2) . . ?
C25 C26 C27 132.4(3) . . ?
N20 C27 C26 109.4(2) . . ?
N28 C27 N20 127.6(2) . . ?
N28 C27 C26 123.0(2) . . ?
C29 N28 C27 122.7(2) . . ?
N28 C29 N29 127.4(2) . . ?
N28 C29 C30 123.4(2) . . ?
N29 C29 C30 109.2(2) . . ?
C29 N29 V1 125.05(17) . . ?
C36 N29 V1 125.31(17) . . ?
C36 N29 C29 107.6(2) . . ?
C31 C30 C29 131.9(2) . . ?
C31 C30 C35 121.4(2) . . ?
C35 C30 C29 106.7(2) . . ?
C30 C31 H31 121.5 . . ?
C30 C31 C32 117.0(3) . . ?
C32 C31 H31 121.5 . . ?
C31 C32 H32 119.1 . . ?
C31 C32 C33 121.7(3) . . ?
C33 C32 H32 119.1 . . ?
C32 C33 H33 119.5 . . ?
C34 C33 C32 120.9(3) . . ?
C34 C33 H33 119.5 . . ?
C33 C34 H34 121.2 . . ?
C33 C34 C35 117.6(3) . . ?
C35 C34 H34 121.2 . . ?
C30 C35 C36 106.7(2) . . ?
C34 C35 C30 121.4(2) . . ?
C34 C35 C36 132.0(2) . . ?
N1 C36 N29 127.9(2) . . ?
N1 C36 C35 122.4(2) . . ?
N29 C36 C35 109.7(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 1017243'
