 
data_01src192
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C24 H24 F6 N2 O4 Pd2' 
_chemical_formula_weight          731.25 
 
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' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Pd'  'Pd'  -0.9988   1.0072 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    P2(1)2(1)2(1) 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 'x+1/2, -y+1/2, -z' 
 '-x, y+1/2, -z+1/2' 
 '-x+1/2, -y, z+1/2' 
 
_cell_length_a                    11.0425(2) 
_cell_length_b                    15.4028(3) 
_cell_length_c                    16.0274(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2726.03(10) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     12826 
_cell_measurement_theta_min       2.91 
_cell_measurement_theta_max       27.48 
 
_exptl_crystal_description        Block 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.20 
_exptl_crystal_size_mid           0.15 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.782 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1440 
_exptl_absorpt_coefficient_mu     1.392 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.7681 
_exptl_absorpt_correction_T_max   0.8733 
_exptl_absorpt_process_details    'SORTAV (Blessing, 1997)' 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'Bruker-Nonius FR591 rotating anode' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker-Nonius KappaCCD'
_diffrn_measurement_method        'Φ & ω scans' 
_diffrn_detector_area_resol_mean  9.091 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             15811 
_diffrn_reflns_av_R_equivalents   0.0557 
_diffrn_reflns_av_sigmaI/netI     0.0476 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          2.93 
_diffrn_reflns_theta_max          25.50 
_reflns_number_total              5039 
_reflns_number_gt                 4674 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'COLLECT (Hooft, 1998)'  
_computing_cell_refinement        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)' 
_computing_data_reduction         
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)' 
_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)+(0.0352P)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      SHELXL 
_refine_ls_extinction_coef        0.0009(3) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.01(3) 
_refine_ls_number_reflns          5039 
_refine_ls_number_parameters      380 
_refine_ls_number_restraints      24 
_refine_ls_R_factor_all           0.0343 
_refine_ls_R_factor_gt            0.0296 
_refine_ls_wR_factor_ref          0.0688 
_refine_ls_wR_factor_gt           0.0671 
_refine_ls_goodness_of_fit_ref    1.053 
_refine_ls_restrained_S_all       1.099 
_refine_ls_shift/su_max           0.027 
_refine_ls_shift/su_mean          0.001 
 
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 
Pd1 Pd 0.19090(3) 0.05260(2) 0.20412(2) 0.02608(11) Uani 1 1 d . . . 
Pd2 Pd 0.07147(3) 0.15301(2) 0.07510(2) 0.02468(10) Uani 1 1 d . . . 
N1' N 0.3248(3) 0.1382(2) 0.2286(2) 0.0303(8) Uani 1 1 d . . . 
N1 N 0.1933(3) 0.1540(2) -0.0174(2) 0.0263(7) Uani 1 1 d . . . 
O1 O -0.0598(3) 0.16634(19) 0.16563(18) 0.0312(7) Uani 1 1 d . . . 
O2 O 0.0457(2) 0.1157(2) 0.27622(19) 0.0324(7) Uani 1 1 d . . . 
O1' O 0.0664(3) -0.04210(19) 0.17293(18) 0.0319(7) Uani 1 1 d . . . 
O2' O 0.0049(2) 0.0216(2) 0.0530(2) 0.0318(7) Uani 1 1 d . . . 
F1 F -0.2473(2) 0.1204(2) 0.2750(2) 0.0612(9) Uani 1 1 d . . . 
F2 F -0.1881(3) 0.25189(19) 0.28504(19) 0.0577(8) Uani 1 1 d . . . 
F3 F -0.1352(3) 0.1591(2) 0.37568(18) 0.0587(9) Uani 1 1 d . . . 
F1' F -0.0700(7) -0.1374(5) 0.0069(3) 0.081(2) Uani 0.63 1 d PDU A 1 
F2' F -0.1877(4) -0.0937(4) 0.1052(5) 0.0767(18) Uani 0.63 1 d PDU A 1 
F3' F -0.0538(5) -0.1835(3) 0.1325(4) 0.0549(13) Uani 0.63 1 d PDU A 1 
F1" F -0.0013(10) -0.1829(7) 0.0706(10) 0.105(4) Uiso 0.37 1 d PD A 2 
F2" F -0.1494(14) -0.1336(11) 0.1460(8) 0.132(6) Uiso 0.37 1 d PD A 2 
F3" F -0.1314(9) -0.1145(7) 0.0167(6) 0.062(3) Uiso 0.37 1 d PD A 2 
C1 C -0.0438(3) 0.1473(3) 0.2411(3) 0.0258(9) Uani 1 1 d . . . 
C2 C -0.1542(4) 0.1701(3) 0.2956(3) 0.0340(11) Uani 1 1 d . . . 
C1' C 0.0078(4) -0.0371(3) 0.1057(3) 0.0291(10) Uani 1 1 d . A . 
C2' C -0.0728(4) -0.1145(3) 0.0868(3) 0.0403(11) Uani 1 1 d D . . 
C10 C 0.3211(4) -0.0024(3) 0.1395(3) 0.0322(10) Uani 1 1 d . . . 
C11 C 0.4291(4) 0.0470(3) 0.1382(3) 0.0359(10) Uani 1 1 d . . . 
C12 C 0.5290(4) 0.0201(4) 0.0924(4) 0.0492(15) Uani 1 1 d . . . 
H12 H 0.6007 0.0542 0.0918 0.065(17) Uiso 1 1 calc R . . 
C13 C 0.5238(4) -0.0563(4) 0.0477(3) 0.0473(13) Uani 1 1 d . . . 
H13 H 0.5920 -0.0752 0.0164 0.050(15) Uiso 1 1 calc R . . 
C14 C 0.4190(5) -0.1054(3) 0.0486(3) 0.0449(13) Uani 1 1 d . . . 
H14 H 0.4152 -0.1578 0.0174 0.031(12) Uiso 1 1 calc R . . 
C15 C 0.3180(4) -0.0786(3) 0.0953(3) 0.0400(12) Uani 1 1 d . . . 
H15 H 0.2471 -0.1135 0.0962 0.09(2) Uiso 1 1 calc R . . 
C16 C 0.4235(4) 0.1246(3) 0.1891(3) 0.0340(10) Uani 1 1 d . . . 
H16 H 0.4900 0.1635 0.1930 0.025(11) Uiso 1 1 calc R . . 
C17 C 0.3093(4) 0.2124(3) 0.2864(3) 0.0358(11) Uani 1 1 d . . . 
H17 H 0.2262 0.2361 0.2767 0.026(12) Uiso 1 1 calc R . . 
C18 C 0.3123(5) 0.1791(3) 0.3746(3) 0.0480(13) Uani 1 1 d . . . 
H18A H 0.2533 0.1320 0.3808 0.050(16) Uiso 1 1 calc R . . 
H18B H 0.2920 0.2263 0.4131 0.057(16) Uiso 1 1 calc R . . 
H18C H 0.3936 0.1572 0.3873 0.053(15) Uiso 1 1 calc R . . 
C19 C 0.3990(4) 0.2871(4) 0.2702(4) 0.0517(15) Uani 1 1 d . . . 
H19A H 0.3910 0.3069 0.2124 0.043(15) Uiso 1 1 calc R . . 
H19B H 0.4819 0.2666 0.2798 0.032(12) Uiso 1 1 calc R . . 
H19C H 0.3813 0.3353 0.3082 0.042(14) Uiso 1 1 calc R . . 
C20 C 0.1322(4) 0.2716(3) 0.0899(3) 0.0273(10) Uani 1 1 d . . . 
C21 C 0.2241(4) 0.2939(3) 0.0321(3) 0.0302(10) Uani 1 1 d . . . 
C22 C 0.2780(4) 0.3743(3) 0.0335(3) 0.0391(12) Uani 1 1 d . . . 
H22 H 0.3380 0.3886 -0.0067 0.033(12) Uiso 1 1 calc R . . 
C23 C 0.2453(4) 0.4346(3) 0.0934(3) 0.0397(12) Uani 1 1 d . . . 
H23 H 0.2821 0.4903 0.0942 0.08(2) Uiso 1 1 calc R . . 
C24 C 0.1580(4) 0.4130(3) 0.1525(3) 0.0372(12) Uani 1 1 d . . . 
H24 H 0.1361 0.4537 0.1944 0.017(10) Uiso 1 1 calc R . . 
C25 C 0.1018(4) 0.3306(3) 0.1501(3) 0.0332(11) Uani 1 1 d . . . 
H25 H 0.0424 0.3161 0.1907 0.020(11) Uiso 1 1 calc R . . 
C26 C 0.2539(4) 0.2245(3) -0.0250(3) 0.0332(11) Uani 1 1 d . . . 
H26 H 0.3154 0.2308 -0.0660 0.030(11) Uiso 1 1 calc R . . 
C27 C 0.2102(4) 0.0774(3) -0.0722(3) 0.0309(10) Uani 1 1 d . . . 
H27 H 0.2005 0.0242 -0.0372 0.026(11) Uiso 1 1 calc R . . 
C28 C 0.3344(4) 0.0740(3) -0.1123(3) 0.0384(12) Uani 1 1 d . . . 
H28A H 0.3967 0.0740 -0.0688 0.045(14) Uiso 1 1 calc R . . 
H28B H 0.3452 0.1249 -0.1483 0.09(2) Uiso 1 1 calc R . . 
H28C H 0.3414 0.0211 -0.1458 0.050(15) Uiso 1 1 calc R . . 
C29 C 0.1091(4) 0.0776(4) -0.1376(3) 0.0402(12) Uani 1 1 d . . . 
H29A H 0.0303 0.0799 -0.1095 0.016(10) Uiso 1 1 calc R . . 
H29B H 0.1141 0.0246 -0.1712 0.13(3) Uiso 1 1 calc R . . 
H29C H 0.1181 0.1284 -0.1739 0.052(16) 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 
Pd1 C10 1.964(5) . ? 
Pd1 N1' 2.020(3) . ? 
Pd1 O1' 2.066(3) . ? 
Pd1 O2 2.202(3) . ? 
Pd1 Pd2 2.8996(4) . ? 
Pd2 C20 1.960(4) . ? 
Pd2 N1 2.002(3) . ? 
Pd2 O1 2.061(3) . ? 
Pd2 O2' 2.182(3) . ? 
N1' C16 1.277(5) . ? 
N1' C17 1.481(6) . ? 
N1 C26 1.282(6) . ? 
N1 C27 1.482(6) . ? 
O1 C1 1.257(5) . ? 
O2 C1 1.237(5) . ? 
O1' C1' 1.259(5) . ? 
O2' C1' 1.239(5) . ? 
F1 C2 1.324(5) . ? 
F2 C2 1.326(5) . ? 
F3 C2 1.312(5) . ? 
F1' C2' 1.328(6) . ? 
F2' C2' 1.342(6) . ? 
F3' C2' 1.308(5) . ? 
F1" C2' 1.342(7) . ? 
F2" C2' 1.305(8) . ? 
F3" C2' 1.296(7) . ? 
C1 C2 1.539(6) . ? 
C1' C2' 1.519(6) . ? 
C10 C15 1.372(7) . ? 
C10 C11 1.415(7) . ? 
C11 C12 1.388(7) . ? 
C11 C16 1.449(6) . ? 
C12 C13 1.379(8) . ? 
C12 H12 0.9500 . ? 
C13 C14 1.383(8) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.405(7) . ? 
C14 H14 0.9500 . ? 
C15 H15 0.9500 . ? 
C16 H16 0.9500 . ? 
C17 C18 1.504(7) . ? 
C17 C19 1.540(7) . ? 
C17 H17 1.0000 . ? 
C18 H18A 0.9800 . ? 
C18 H18B 0.9800 . ? 
C18 H18C 0.9800 . ? 
C19 H19A 0.9800 . ? 
C19 H19B 0.9800 . ? 
C19 H19C 0.9800 . ? 
C20 C25 1.367(6) . ? 
C20 C21 1.417(6) . ? 
C21 C22 1.375(7) . ? 
C21 C26 1.445(6) . ? 
C22 C23 1.383(7) . ? 
C22 H22 0.9500 . ? 
C23 C24 1.392(7) . ? 
C23 H23 0.9500 . ? 
C24 C25 1.414(6) . ? 
C24 H24 0.9500 . ? 
C25 H25 0.9500 . ? 
C26 H26 0.9500 . ? 
C27 C28 1.515(6) . ? 
C27 C29 1.531(6) . ? 
C27 H27 1.0000 . ? 
C28 H28A 0.9800 . ? 
C28 H28B 0.9800 . ? 
C28 H28C 0.9800 . ? 
C29 H29A 0.9800 . ? 
C29 H29B 0.9800 . ? 
C29 H29C 0.9800 . ? 
 
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 
C10 Pd1 N1' 81.24(17) . . ? 
C10 Pd1 O1' 93.16(16) . . ? 
N1' Pd1 O1' 174.38(13) . . ? 
C10 Pd1 O2 179.35(17) . . ? 
N1' Pd1 O2 98.23(13) . . ? 
O1' Pd1 O2 87.38(12) . . ? 
C10 Pd1 Pd2 100.78(13) . . ? 
N1' Pd1 Pd2 97.09(10) . . ? 
O1' Pd1 Pd2 84.34(8) . . ? 
O2 Pd1 Pd2 78.92(8) . . ? 
C20 Pd2 N1 81.55(17) . . ? 
C20 Pd2 O1 93.58(15) . . ? 
N1 Pd2 O1 173.27(13) . . ? 
C20 Pd2 O2' 177.59(16) . . ? 
N1 Pd2 O2' 96.47(13) . . ? 
O1 Pd2 O2' 88.28(12) . . ? 
C20 Pd2 Pd1 104.78(12) . . ? 
N1 Pd2 Pd1 103.10(10) . . ? 
O1 Pd2 Pd1 82.58(8) . . ? 
O2' Pd2 Pd1 76.96(8) . . ? 
C16 N1' C17 122.3(4) . . ? 
C16 N1' Pd1 114.9(3) . . ? 
C17 N1' Pd1 122.7(3) . . ? 
C26 N1 C27 123.5(4) . . ? 
C26 N1 Pd2 115.3(3) . . ? 
C27 N1 Pd2 121.2(3) . . ? 
C1 O1 Pd2 123.7(3) . . ? 
C1 O2 Pd1 121.1(3) . . ? 
C1' O1' Pd1 120.4(3) . . ? 
C1' O2' Pd2 123.9(3) . . ? 
O2 C1 O1 129.9(4) . . ? 
O2 C1 C2 117.7(4) . . ? 
O1 C1 C2 112.4(3) . . ? 
F3 C2 F1 107.0(4) . . ? 
F3 C2 F2 107.0(4) . . ? 
F1 C2 F2 107.4(4) . . ? 
F3 C2 C1 113.5(3) . . ? 
F1 C2 C1 110.0(4) . . ? 
F2 C2 C1 111.6(4) . . ? 
O2' C1' O1' 129.9(4) . . ? 
O2' C1' C2' 114.9(4) . . ? 
O1' C1' C2' 115.1(4) . . ? 
F3" C2' F2" 107.9(9) . . ? 
F3" C2' F3' 124.5(7) . . ? 
F2" C2' F3' 60.9(8) . . ? 
F3" C2' F1' 34.6(5) . . ? 
F2" C2' F1' 131.1(9) . . ? 
F3' C2' F1' 108.7(5) . . ? 
F3" C2' F2' 73.7(6) . . ? 
F2" C2' F2' 44.0(7) . . ? 
F3' C2' F2' 102.9(5) . . ? 
F1' C2' F2' 107.4(6) . . ? 
F3" C2' F1" 97.2(8) . . ? 
F2" C2' F1" 110.2(10) . . ? 
F3' C2' F1" 51.4(7) . . ? 
F1' C2' F1" 65.9(7) . . ? 
F2' C2' F1" 141.9(7) . . ? 
F3" C2' C1' 117.8(6) . . ? 
F2" C2' C1' 114.3(8) . . ? 
F3' C2' C1' 115.5(4) . . ? 
F1' C2' C1' 112.8(4) . . ? 
F2' C2' C1' 108.8(4) . . ? 
F1" C2' C1' 108.0(6) . . ? 
C15 C10 C11 118.2(4) . . ? 
C15 C10 Pd1 128.5(4) . . ? 
C11 C10 Pd1 113.2(3) . . ? 
C12 C11 C10 121.1(5) . . ? 
C12 C11 C16 125.4(4) . . ? 
C10 C11 C16 113.5(4) . . ? 
C13 C12 C11 119.8(5) . . ? 
C13 C12 H12 120.1 . . ? 
C11 C12 H12 120.1 . . ? 
C12 C13 C14 119.7(4) . . ? 
C12 C13 H13 120.1 . . ? 
C14 C13 H13 120.1 . . ? 
C13 C14 C15 120.6(5) . . ? 
C13 C14 H14 119.7 . . ? 
C15 C14 H14 119.7 . . ? 
C10 C15 C14 120.5(5) . . ? 
C10 C15 H15 119.8 . . ? 
C14 C15 H15 119.8 . . ? 
N1' C16 C11 116.8(4) . . ? 
N1' C16 H16 121.6 . . ? 
C11 C16 H16 121.6 . . ? 
N1' C17 C18 108.8(4) . . ? 
N1' C17 C19 113.4(4) . . ? 
C18 C17 C19 113.5(5) . . ? 
N1' C17 H17 106.9 . . ? 
C18 C17 H17 106.9 . . ? 
C19 C17 H17 106.9 . . ? 
C17 C18 H18A 109.5 . . ? 
C17 C18 H18B 109.5 . . ? 
H18A C18 H18B 109.5 . . ? 
C17 C18 H18C 109.5 . . ? 
H18A C18 H18C 109.5 . . ? 
H18B C18 H18C 109.5 . . ? 
C17 C19 H19A 109.5 . . ? 
C17 C19 H19B 109.5 . . ? 
H19A C19 H19B 109.5 . . ? 
C17 C19 H19C 109.5 . . ? 
H19A C19 H19C 109.5 . . ? 
H19B C19 H19C 109.5 . . ? 
C25 C20 C21 118.4(4) . . ? 
C25 C20 Pd2 128.4(3) . . ? 
C21 C20 Pd2 113.1(3) . . ? 
C22 C21 C20 121.2(4) . . ? 
C22 C21 C26 125.4(4) . . ? 
C20 C21 C26 113.4(4) . . ? 
C21 C22 C23 120.2(5) . . ? 
C21 C22 H22 119.9 . . ? 
C23 C22 H22 119.9 . . ? 
C22 C23 C24 119.6(5) . . ? 
C22 C23 H23 120.2 . . ? 
C24 C23 H23 120.2 . . ? 
C23 C24 C25 120.0(5) . . ? 
C23 C24 H24 120.0 . . ? 
C25 C24 H24 120.0 . . ? 
C20 C25 C24 120.6(4) . . ? 
C20 C25 H25 119.7 . . ? 
C24 C25 H25 119.7 . . ? 
N1 C26 C21 116.6(4) . . ? 
N1 C26 H26 121.7 . . ? 
C21 C26 H26 121.7 . . ? 
N1 C27 C28 113.1(4) . . ? 
N1 C27 C29 108.2(3) . . ? 
C28 C27 C29 111.7(4) . . ? 
N1 C27 H27 107.9 . . ? 
C28 C27 H27 107.9 . . ? 
C29 C27 H27 107.9 . . ? 
C27 C28 H28A 109.5 . . ? 
C27 C28 H28B 109.5 . . ? 
H28A C28 H28B 109.5 . . ? 
C27 C28 H28C 109.5 . . ? 
H28A C28 H28C 109.5 . . ? 
H28B C28 H28C 109.5 . . ? 
C27 C29 H29A 109.5 . . ? 
C27 C29 H29B 109.5 . . ? 
H29A C29 H29B 109.5 . . ? 
C27 C29 H29C 109.5 . . ? 
H29A C29 H29C 109.5 . . ? 
H29B C29 H29C 109.5 . . ? 
 
_diffrn_measured_fraction_theta_max    0.996 
_diffrn_reflns_theta_full              25.50 
_diffrn_measured_fraction_theta_full   0.996 
_refine_diff_density_max    0.673 
_refine_diff_density_min   -0.526 
_refine_diff_density_rms    0.079 
