# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_Dy
_database_code_depnum_ccdc_archive 'CCDC 1500360'
_audit_update_record             
;
2016-08-22 deposited with the CCDC.
2017-12-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H22 Dy2 N12 O12'
_chemical_formula_sum            'C20 H22 Dy2 N12 O12'
_chemical_formula_weight         947.50

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'
Dy Dy -0.1892 4.4098 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

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                   9.72904(17)
_cell_length_b                   11.3592(2)
_cell_length_c                   24.6724(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.8572(17)
_cell_angle_gamma                90.00
_cell_volume                     2720.47(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    6068
_cell_measurement_theta_min      3.6130
_cell_measurement_theta_max      28.8300

_exptl_crystal_description       hexagon
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1816
_exptl_absorpt_coefficient_mu    5.539
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(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  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10756
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0393
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4785
_reflns_number_gt                4121
_reflns_threshold_expression     >2sigma(I)

_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          
; 
 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)+(0.0191P)²+1.3162P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4785
_refine_ls_number_parameters     419
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0258
_refine_ls_wR_factor_ref         0.0590
_refine_ls_wR_factor_gt          0.0557
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.002
_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
Dy1 Dy 0.359016(19) 0.516520(18) 0.260270(8) 0.01016(7) Uani 1 1 d . . .
Dy2 Dy 0.638993(19) 0.731689(18) 0.244958(8) 0.01033(7) Uani 1 1 d . . .
O3 O 0.4273(3) 0.7003(2) 0.27941(12) 0.0151(7) Uani 1 1 d . . .
H3 H 0.3673 0.7584 0.2630 0.023 Uiso 1 1 d . . .
O12 O 0.4982(3) 1.0108(3) 0.34950(13) 0.0231(8) Uani 1 1 d . . .
O11 O 0.6071(3) 0.9178(2) 0.28591(12) 0.0175(7) Uani 1 1 d . . .
O14 O 0.5687(3) 0.5495(2) 0.22571(12) 0.0144(7) Uani 1 1 d . . .
H14 H 0.6387 0.5049 0.2397 0.022 Uiso 1 1 d . . .
O23 O 0.4905(3) 0.2431(3) 0.14885(13) 0.0231(8) Uani 1 1 d . . .
O33 O 0.8187(3) 0.8580(3) 0.22084(13) 0.0191(7) Uani 1 1 d . . .
O22 O 0.3895(3) 0.3325(2) 0.21618(12) 0.0157(7) Uani 1 1 d . . .
O43 O -0.0042(3) 0.3345(3) 0.32483(12) 0.0180(7) Uani 1 1 d . . .
N16 N 0.3215(4) 0.5178(3) 0.15585(15) 0.0157(8) Uani 1 1 d . . .
N5 N 0.6758(4) 0.7387(3) 0.35106(15) 0.0161(9) Uani 1 1 d . . .
O42 O 0.1824(3) 0.3857(3) 0.28290(13) 0.0196(8) Uani 1 1 d . . .
O45 O 0.8417(3) 0.6206(3) 0.27243(13) 0.0222(8) Uani 1 1 d . . .
H45A H 0.9011 0.6656 0.2895 0.033 Uiso 1 1 d . . .
H45B H 0.8770 0.5921 0.2444 0.033 Uiso 1 1 d . . .
O46 O 0.1520(3) 0.6217(3) 0.23530(12) 0.0213(8) Uani 1 1 d . . .
H46A H 0.1237 0.6577 0.2631 0.032 Uiso 1 1 d . . .
H46B H 0.0891 0.5735 0.2230 0.032 Uiso 1 1 d . . .
O32 O 0.9982(3) 0.9114(3) 0.17437(13) 0.0208(8) Uani 1 1 d . . .
N26 N 0.7428(3) 0.6942(3) 0.15162(15) 0.0134(8) Uani 1 1 d . . .
N36 N 0.2555(4) 0.5440(3) 0.35562(15) 0.0146(8) Uani 1 1 d . . .
N19 N 0.3817(4) 0.5366(4) 0.04778(16) 0.0254(10) Uani 1 1 d . . .
C21 C 0.4259(4) 0.3259(4) 0.16800(18) 0.0141(10) Uani 1 1 d . . .
N8 N 0.6122(4) 0.7317(3) 0.45909(16) 0.0243(10) Uani 1 1 d . . .
N29 N 0.8523(4) 0.6725(3) 0.05115(15) 0.0225(9) Uani 1 1 d . . .
C35 C 0.1512(4) 0.4741(4) 0.36666(18) 0.0143(10) Uani 1 1 d . . .
C31 C 0.8911(4) 0.8506(4) 0.18097(18) 0.0133(10) Uani 1 1 d . . .
N34 N 1.0052(5) 0.8218(4) 0.07209(17) 0.0353(12) Uani 1 1 d . . .
H34A H 1.0367 0.8129 0.0406 0.042 Uiso 1 1 d . . .
H34B H 1.0400 0.8744 0.0940 0.042 Uiso 1 1 d . . .
C10 C 0.5666(4) 0.9270(4) 0.33387(18) 0.0149(10) Uani 1 1 d . . .
C25 C 0.8439(4) 0.7641(4) 0.13811(18) 0.0146(10) Uani 1 1 d . . .
C41 C 0.1065(4) 0.3916(4) 0.32167(18) 0.0135(10) Uani 1 1 d . . .
N13 N 0.4948(5) 0.9066(4) 0.44897(17) 0.0318(11) Uani 1 1 d . . .
H13A H 0.4341 0.9323 0.4250 0.038 Uiso 1 1 d . . .
H13B H 0.4539 0.8774 0.4760 0.038 Uiso 1 1 d . . .
C9 C 0.5707(5) 0.8229(4) 0.42685(19) 0.0195(11) Uani 1 1 d . . .
C4 C 0.6075(4) 0.8282(4) 0.37218(18) 0.0153(10) Uani 1 1 d . . .
N39 N 0.1424(4) 0.5569(4) 0.45609(16) 0.0263(10) Uani 1 1 d . . .
N24 N 0.4894(5) 0.3564(4) 0.05166(17) 0.0322(11) Uani 1 1 d . . .
H24A H 0.4683 0.2883 0.0637 0.039 Uiso 1 1 d . . .
H24B H 0.4691 0.3601 0.0173 0.039 Uiso 1 1 d . . .
C15 C 0.3847(4) 0.4304(4) 0.13178(18) 0.0145(10) Uani 1 1 d . . .
C30 C 0.9016(5) 0.7530(4) 0.08705(19) 0.0184(10) Uani 1 1 d . . .
N44 N -0.0159(5) 0.4124(4) 0.43012(19) 0.0381(13) Uani 1 1 d . . .
H44A H 0.0000 0.4330 0.4579 0.053 Uiso 1 1 d . . .
C20 C 0.4175(5) 0.4400(4) 0.07672(19) 0.0186(11) Uani 1 1 d . . .
C17 C 0.2853(5) 0.6131(4) 0.1265(2) 0.0218(11) Uani 1 1 d . . .
H17 H 0.2405 0.6748 0.1427 0.027 Uiso 1 1 d . . .
C6 C 0.7142(5) 0.6481(4) 0.3829(2) 0.0234(11) Uani 1 1 d . . .
H6 H 0.7630 0.5859 0.3689 0.028 Uiso 1 1 d . . .
C40 C 0.0919(5) 0.4808(4) 0.4173(2) 0.0210(11) Uani 1 1 d . . .
C18 C 0.3142(5) 0.6214(4) 0.0733(2) 0.0254(12) Uani 1 1 d . . .
H18 H 0.2866 0.6881 0.0537 0.031 Uiso 1 1 d . . .
C37 C 0.3034(5) 0.6202(4) 0.3937(2) 0.0239(12) Uani 1 1 d . . .
H37 H 0.3762 0.6697 0.3866 0.029 Uiso 1 1 d . . .
C28 C 0.7508(5) 0.6041(4) 0.0666(2) 0.0239(11) Uani 1 1 d . . .
H28 H 0.7161 0.5465 0.0426 0.029 Uiso 1 1 d . . .
C38 C 0.2462(5) 0.6258(4) 0.4432(2) 0.0267(12) Uani 1 1 d . . .
H38 H 0.2810 0.6803 0.4687 0.032 Uiso 1 1 d . . .
C7 C 0.6830(6) 0.6464(5) 0.4362(2) 0.0308(13) Uani 1 1 d . . .
H7 H 0.7128 0.5827 0.4576 0.038 Uiso 1 1 d . . .
C27 C 0.6949(5) 0.6135(4) 0.11600(19) 0.0193(11) Uani 1 1 d . . .
H27 H 0.6233 0.5639 0.1245 0.023 Uiso 1 1 d . . .
H44B H -0.048(5) 0.369(4) 0.406(2) 0.022(15) Uiso 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
Dy1 O3 2.232(3) . ?
Dy1 O14 2.294(3) . ?
Dy1 O42 2.367(3) . ?
Dy1 O32 2.378(3) 2_645 ?
Dy1 O22 2.384(3) . ?
Dy1 O46 2.387(3) . ?
Dy1 N16 2.578(4) . ?
Dy1 N36 2.639(4) . ?
Dy1 Dy2 3.6979(3) . ?
Dy2 O14 2.221(3) . ?
Dy2 O3 2.308(3) . ?
Dy2 O33 2.369(3) . ?
Dy2 O11 2.373(3) . ?
Dy2 O43 2.397(3) 2 ?
Dy2 O45 2.400(3) . ?
Dy2 N26 2.611(4) . ?
Dy2 N5 2.619(4) . ?
O12 C10 1.238(5) . ?
O11 C10 1.276(5) . ?
O23 C21 1.242(5) . ?
O33 C31 1.251(5) . ?
O22 C21 1.265(5) . ?
O43 C41 1.265(5) . ?
O43 Dy2 2.397(3) 2_545 ?
N16 C15 1.329(6) . ?
N16 C17 1.335(6) . ?
N5 C6 1.333(6) . ?
N5 C4 1.339(5) . ?
O42 C41 1.249(5) . ?
O32 C31 1.269(5) . ?
O32 Dy1 2.378(3) 2_655 ?
N26 C25 1.324(5) . ?
N26 C27 1.332(6) . ?
N36 C35 1.331(5) . ?
N36 C37 1.338(6) . ?
N19 C20 1.342(6) . ?
N19 C18 1.345(6) . ?
C21 C15 1.523(6) . ?
N8 C7 1.335(6) . ?
N8 C9 1.351(6) . ?
N29 C28 1.332(6) . ?
N29 C30 1.339(6) . ?
C35 C40 1.414(6) . ?
C35 C41 1.495(6) . ?
C31 C25 1.493(6) . ?
N34 C30 1.346(6) . ?
C10 C4 1.503(6) . ?
C25 C30 1.419(6) . ?
N13 C9 1.342(6) . ?
C9 C4 1.420(6) . ?
N39 C38 1.333(6) . ?
N39 C40 1.357(6) . ?
N24 C20 1.354(6) . ?
C15 C20 1.420(6) . ?
N44 C40 1.359(6) . ?
C17 C18 1.366(6) . ?
C6 C7 1.369(7) . ?
C37 C38 1.376(6) . ?
C28 C27 1.373(6) . ?

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
O3 Dy1 O14 70.52(10) . . ?
O3 Dy1 O42 138.42(10) . . ?
O14 Dy1 O42 150.22(10) . . ?
O3 Dy1 O32 100.04(11) . 2_645 ?
O14 Dy1 O32 80.82(10) . 2_645 ?
O42 Dy1 O32 85.69(11) . 2_645 ?
O3 Dy1 O22 150.74(10) . . ?
O14 Dy1 O22 80.37(10) . . ?
O42 Dy1 O22 70.82(10) . . ?
O32 Dy1 O22 77.54(10) 2_645 . ?
O3 Dy1 O46 79.66(11) . . ?
O14 Dy1 O46 125.34(11) . . ?
O42 Dy1 O46 76.22(11) . . ?
O32 Dy1 O46 150.54(10) 2_645 . ?
O22 Dy1 O46 116.72(10) . . ?
O3 Dy1 N16 103.08(11) . . ?
O14 Dy1 N16 72.39(11) . . ?
O42 Dy1 N16 100.55(11) . . ?
O32 Dy1 N16 135.87(11) 2_645 . ?
O22 Dy1 N16 64.07(11) . . ?
O46 Dy1 N16 71.26(11) . . ?
O3 Dy1 N36 80.02(11) . . ?
O14 Dy1 N36 135.57(11) . . ?
O42 Dy1 N36 62.45(11) . . ?
O32 Dy1 N36 72.26(10) 2_645 . ?
O22 Dy1 N36 125.24(10) . . ?
O46 Dy1 N36 78.76(11) . . ?
N16 Dy1 N36 148.58(11) . . ?
O3 Dy1 Dy2 36.15(7) . . ?
O14 Dy1 Dy2 34.37(7) . . ?
O42 Dy1 Dy2 172.12(8) . . ?
O32 Dy1 Dy2 90.03(8) 2_645 . ?
O22 Dy1 Dy2 114.70(7) . . ?
O46 Dy1 Dy2 104.92(8) . . ?
N16 Dy1 Dy2 87.13(8) . . ?
N36 Dy1 Dy2 109.92(8) . . ?
O14 Dy2 O3 70.44(10) . . ?
O14 Dy2 O33 137.12(10) . . ?
O3 Dy2 O33 151.43(10) . . ?
O14 Dy2 O11 150.95(10) . . ?
O3 Dy2 O11 80.53(10) . . ?
O33 Dy2 O11 71.76(10) . . ?
O14 Dy2 O43 98.90(11) . 2 ?
O3 Dy2 O43 83.18(10) . 2 ?
O33 Dy2 O43 84.37(11) . 2 ?
O11 Dy2 O43 77.93(10) . 2 ?
O14 Dy2 O45 78.82(10) . . ?
O3 Dy2 O45 123.47(11) . . ?
O33 Dy2 O45 77.45(11) . . ?
O11 Dy2 O45 118.46(11) . . ?
O43 Dy2 O45 149.14(10) 2 . ?
O14 Dy2 N26 77.96(11) . . ?
O3 Dy2 N26 135.02(11) . . ?
O33 Dy2 N26 62.70(10) . . ?
O11 Dy2 N26 126.18(11) . . ?
O43 Dy2 N26 70.80(10) 2 . ?
O45 Dy2 N26 78.70(11) . . ?
O14 Dy2 N5 105.16(11) . . ?
O3 Dy2 N5 72.67(11) . . ?
O33 Dy2 N5 100.30(11) . . ?
O11 Dy2 N5 63.92(11) . . ?
O43 Dy2 N5 137.28(10) 2 . ?
O45 Dy2 N5 71.29(11) . . ?
N26 Dy2 N5 148.36(11) . . ?
O14 Dy2 Dy1 35.66(7) . . ?
O3 Dy2 Dy1 34.78(7) . . ?
O33 Dy2 Dy1 170.88(7) . . ?
O11 Dy2 Dy1 115.29(7) . . ?
O43 Dy2 Dy1 91.40(7) 2 . ?
O45 Dy2 Dy1 102.75(8) . . ?
N26 Dy2 Dy1 108.28(8) . . ?
N5 Dy2 Dy1 88.29(8) . . ?
Dy1 O3 Dy2 109.08(11) . . ?
C10 O11 Dy2 121.6(3) . . ?
Dy2 O14 Dy1 109.97(12) . . ?
C31 O33 Dy2 128.4(3) . . ?
C21 O22 Dy1 122.1(3) . . ?
C41 O43 Dy2 129.3(3) . 2_545 ?
C15 N16 C17 118.4(4) . . ?
C15 N16 Dy1 113.8(3) . . ?
C17 N16 Dy1 124.1(3) . . ?
C6 N5 C4 118.9(4) . . ?
C6 N5 Dy2 125.5(3) . . ?
C4 N5 Dy2 112.0(3) . . ?
C41 O42 Dy1 128.5(3) . . ?
C31 O32 Dy1 129.3(3) . 2_655 ?
C25 N26 C27 118.7(4) . . ?
C25 N26 Dy2 117.5(3) . . ?
C27 N26 Dy2 123.7(3) . . ?
C35 N36 C37 118.4(4) . . ?
C35 N36 Dy1 117.0(3) . . ?
C37 N36 Dy1 124.6(3) . . ?
C20 N19 C18 116.9(4) . . ?
O23 C21 O22 125.7(4) . . ?
O23 C21 C15 119.1(4) . . ?
O22 C21 C15 115.2(4) . . ?
C7 N8 C9 116.7(4) . . ?
C28 N29 C30 116.6(4) . . ?
N36 C35 C40 120.8(4) . . ?
N36 C35 C41 114.2(4) . . ?
C40 C35 C41 125.1(4) . . ?
O33 C31 O32 125.1(4) . . ?
O33 C31 C25 116.0(4) . . ?
O32 C31 C25 118.9(4) . . ?
O12 C10 O11 123.9(4) . . ?
O12 C10 C4 120.2(4) . . ?
O11 C10 C4 115.9(4) . . ?
N26 C25 C30 121.0(4) . . ?
N26 C25 C31 114.5(4) . . ?
C30 C25 C31 124.5(4) . . ?
O42 C41 O43 124.7(4) . . ?
O42 C41 C35 116.5(4) . . ?
O43 C41 C35 118.8(4) . . ?
N13 C9 N8 117.1(4) . . ?
N13 C9 C4 122.5(4) . . ?
N8 C9 C4 120.5(4) . . ?
N5 C4 C9 120.1(4) . . ?
N5 C4 C10 116.1(4) . . ?
C9 C4 C10 123.8(4) . . ?
C38 N39 C40 116.7(4) . . ?
N16 C15 C20 120.7(4) . . ?
N16 C15 C21 115.6(4) . . ?
C20 C15 C21 123.7(4) . . ?
N29 C30 N34 117.1(4) . . ?
N29 C30 C25 120.2(4) . . ?
N34 C30 C25 122.7(4) . . ?
N19 C20 N24 117.0(4) . . ?
N19 C20 C15 120.4(4) . . ?
N24 C20 C15 122.6(4) . . ?
N16 C17 C18 120.9(4) . . ?
N5 C6 C7 120.4(4) . . ?
N39 C40 N44 116.7(4) . . ?
N39 C40 C35 120.5(4) . . ?
N44 C40 C35 122.8(4) . . ?
N19 C18 C17 122.7(4) . . ?
N36 C37 C38 120.7(4) . . ?
N29 C28 C27 123.6(4) . . ?
N39 C38 C37 122.9(4) . . ?
N8 C7 C6 123.4(5) . . ?
N26 C27 C28 119.9(4) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.602
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.142
