#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:17:53 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179406 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/03/4330303.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4330303
loop_
_publ_author_name
'Yan-Xi Tan'
'Yan-Ping He'
'Jian Zhang'
_publ_section_title
;
 Tuning MOF Stability and Porosity via Adding Rigid Pillars
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9649
_journal_page_last               9654
_journal_paper_doi               10.1021/ic300778m
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C36 H27 Cu2 N2 O11'
_chemical_formula_weight         790.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.187(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.025(7)
_cell_length_b                   15.919(3)
_cell_length_c                   20.831(5)
_cell_measurement_reflns_used    275
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.4971
_cell_measurement_theta_min      2.3621
_cell_volume                     9268(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0643
_diffrn_reflns_av_sigmaI/netI    0.0882
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17608
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.966
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8635
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.133
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3224
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.357
_refine_diff_density_min         -1.226
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6020
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.1336
_refine_ls_R_factor_gt           0.1162
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1901P)²+183.0929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3225
_refine_ls_wR_factor_ref         0.3370
_reflns_number_gt                4439
_reflns_number_total             6020
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300778m_si_002_3.cif
_cod_data_source_block           3
_cod_original_cell_volume        9268(3)
_cod_database_code               4330303
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Cu1 Cu 0.20285(4) 0.74100(7) 0.45849(6) 0.0128(4) Uani 1 1 d .
Cu2 Cu 0.00945(5) 1.50288(7) 0.44525(7) 0.0165(5) Uani 1 1 d .
O1 O 0.2919(2) 0.8547(4) 0.4735(4) 0.0175(16) Uani 1 1 d .
O2 O 0.2112(2) 0.8360(4) 0.4023(4) 0.0124(15) Uani 1 1 d .
O6 O 0.2076(2) 0.8259(4) 0.5321(4) 0.0149(16) Uani 1 1 d .
O7 O 0.2883(2) 0.8456(4) 0.6037(4) 0.0170(16) Uani 1 1 d .
N1 N 0.1249(3) 0.7513(5) 0.3898(5) 0.018(2) Uani 1 1 d .
O9 O 0.0383(3) 1.4059(4) 0.6020(4) 0.0232(18) Uani 1 1 d .
O4 O 0.0430(3) 1.4194(5) 0.1071(4) 0.0282(19) Uani 1 1 d .
O5 O 0.0599(3) 1.4153(5) 0.0145(4) 0.031(2) Uani 1 1 d .
C9 C 0.2503(3) 0.8764(6) 0.4222(5) 0.013(2) Uani 1 1 d .
C10 C 0.2452(4) 0.8638(6) 0.5841(6) 0.016(2) Uani 1 1 d .
O8 O 0.2134(3) 1.1470(5) 0.7207(4) 0.031(2) Uani 1 1 d .
C12 C 0.2371(4) 0.9351(8) 0.6230(6) 0.029(3) Uani 1 1 d .
O10 O 0.0525(3) 1.4090(5) 0.5075(5) 0.034(2) Uani 1 1 d .
O3 O 0.2306(3) 1.1832(5) 0.2647(5) 0.033(2) Uani 1 1 d .
O11 O 0.0366(3) 1.4951(5) 0.3685(5) 0.0272(19) Uani 1 1 d .
C16 C 0.0608(4) 1.3827(8) 0.5728(7) 0.028(3) Uani 1 1 d .
C17 C 0.2667(4) 1.0513(7) 0.7121(7) 0.028(3) Uani 1 1 d .
H17A H 0.2926 1.0807 0.7507 0.033 Uiso 1 1 calc R
C18 C 0.2788(4) 1.0833(8) 0.3565(7) 0.032(3) Uani 1 1 d .
H18A H 0.3054 1.1150 0.3673 0.038 Uiso 1 1 calc R
N2 N 0.1029(4) 1.4715(8) 0.3611(6) 0.041(3) Uani 1 1 d .
C20 C 0.1093(4) 1.3361(7) 0.1290(6) 0.027(3) Uani 1 1 d .
C21 C 0.2752(4) 0.9810(7) 0.6804(6) 0.022(3) Uani 1 1 d .
H21A H 0.3064 0.9648 0.6978 0.026 Uiso 1 1 calc R
C22 C 0.0255(4) 0.7588(7) 0.2784(7) 0.026(3) Uani 1 1 d .
C23 C 0.0681(4) 1.3943(6) 0.0828(6) 0.017(2) Uani 1 1 d .
C24 C 0.1921(4) 1.0658(7) 0.2865(7) 0.027(3) Uani 1 1 d .
H24A H 0.1617 1.0857 0.2510 0.032 Uiso 1 1 calc R
C26 C 0.1177(4) 1.3045(7) 0.1995(7) 0.026(3) Uani 1 1 d .
H26A H 0.0973 1.3190 0.2158 0.031 Uiso 1 1 calc R
C27 C 0.1978(4) 0.9856(6) 0.3250(6) 0.019(2) Uani 1 1 d .
H27A H 0.1714 0.9533 0.3145 0.023 Uiso 1 1 calc R
C28 C 0.1163(4) 1.2760(8) 0.5687(7) 0.034(3) Uani 1 1 d .
H28A H 0.1028 1.2893 0.5178 0.041 Uiso 1 1 calc R
C29 C 0.1752(4) 1.1987(8) 0.6822(6) 0.030(3) Uani 1 1 d .
C30 C 0.2210(4) 1.0780(7) 0.6877(6) 0.026(3) Uani 1 1 d .
C31 C 0.1889(4) 1.2286(7) 0.2205(7) 0.029(3) Uani 1 1 d .
C32 C 0.1538(4) 1.2168(7) 0.6031(6) 0.029(3) Uani 1 1 d .
H32A H 0.1644 1.1901 0.5750 0.035 Uiso 1 1 calc R
C33 C 0.1416(4) 1.3135(6) 0.1068(7) 0.023(3) Uani 1 1 d .
H33A H 0.1359 1.3326 0.0606 0.027 Uiso 1 1 calc R
C34 C 0.0990(4) 1.3152(7) 0.6096(6) 0.017(2) Uani 1 1 d .
C35 C 0.1905(4) 0.9587(7) 0.5993(6) 0.024(3) Uani 1 1 d .
H35A H 0.1650 0.9281 0.5611 0.028 Uiso 1 1 calc R
C36 C 0.1812(4) 1.2638(6) 0.1519(7) 0.022(3) Uani 1 1 d .
H36A H 0.2029 1.2532 0.1375 0.027 Uiso 1 1 calc R
C37 C 0.2453(3) 0.9593(6) 0.3791(6) 0.014(2) Uani 1 1 d .
C38 C 0.1580(5) 1.2374(7) 0.7218(7) 0.033(3) Uani 1 1 d .
H38A H 0.1712 1.2236 0.7725 0.040 Uiso 1 1 calc R
C39 C 0.1576(4) 1.2505(7) 0.2446(7) 0.028(3) Uani 1 1 d .
H39A H 0.1630 1.2296 0.2902 0.034 Uiso 1 1 calc R
C40 C 0.2316(4) 1.1113(7) 0.3030(6) 0.025(3) Uani 1 1 d .
C41 C 0.1204(4) 1.2987(7) 0.6873(7) 0.030(3) Uani 1 1 d .
H41A H 0.1105 1.3268 0.7157 0.036 Uiso 1 1 calc R
C43 C 0.0559(4) 0.8251(8) 0.2924(8) 0.040(3) Uani 1 1 d .
H43A H 0.0433 0.8760 0.2679 0.048 Uiso 1 1 calc R
C44 C 0.2840(5) 1.0036(7) 0.3936(8) 0.030(3) Uani 1 1 d .
H44A H 0.3144 0.9828 0.4279 0.037 Uiso 1 1 calc R
C45 C 0.1811(4) 1.0267(8) 0.6311(7) 0.033(3) Uani 1 1 d .
H45A H 0.1499 1.0394 0.6167 0.039 Uiso 1 1 calc R
C47 C 0.1041(4) 0.8179(8) 0.3414(8) 0.041(3) Uani 1 1 d .
H47A H 0.1237 0.8601 0.3419 0.049 Uiso 1 1 calc R
C49 C 0.0964(4) 0.6901(9) 0.3843(9) 0.050(4) Uani 1 1 d .
H49A H 0.1093 0.6448 0.4174 0.059 Uiso 1 1 calc R
C51 C 0.0783(4) 1.4710(8) 0.3965(7) 0.038(3) Uani 1 1 d .
H51A H 0.0942 1.4510 0.4460 0.045 Uiso 1 1 calc R
C52 C 0.0460(4) 0.6913(9) 0.3286(9) 0.055(5) Uani 1 1 d .
H52A H 0.0268 0.6469 0.3259 0.066 Uiso 1 1 calc R
C53 C 0.1546(5) 1.4456(10) 0.4025(9) 0.052(4) Uani 1 1 d .
H53A H 0.1642 1.4252 0.4520 0.079 Uiso 1 1 calc R
H53B H 0.1739 1.4931 0.4073 0.079 Uiso 1 1 calc R
H53C H 0.1586 1.4019 0.3746 0.079 Uiso 1 1 calc R
C61 C 0.0788(6) 1.5048(14) 0.2814(9) 0.083(7) Uani 1 1 d .
H61A H 0.0461 1.5183 0.2634 0.124 Uiso 1 1 calc R
H61B H 0.0798 1.4628 0.2491 0.124 Uiso 1 1 calc R
H61C H 0.0952 1.5543 0.2808 0.124 Uiso 1 1 calc R
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O6 Cu1 O7 169.1(3) . 7_566
O6 Cu1 O2 87.7(3) . .
O7 Cu1 O2 91.6(3) 7_566 .
O6 Cu1 O1 91.7(3) . 7_566
O7 Cu1 O1 87.0(3) 7_566 7_566
O2 Cu1 O1 169.2(3) . 7_566
O6 Cu1 N1 92.0(3) . .
O7 Cu1 N1 98.9(3) 7_566 .
O2 Cu1 N1 92.4(3) . .
O1 Cu1 N1 98.4(3) 7_566 .
O6 Cu1 Cu1 80.9(2) . 7_566
O7 Cu1 Cu1 88.3(2) 7_566 7_566
O2 Cu1 Cu1 79.75(19) . 7_566
O1 Cu1 Cu1 89.5(2) 7_566 7_566
N1 Cu1 Cu1 169.5(2) . 7_566
O9 Cu2 O4 89.3(3) 5_586 2
O9 Cu2 O10 167.9(3) 5_586 .
O4 Cu2 O10 88.1(3) 2 .
O9 Cu2 O5 91.0(3) 5_586 6_586
O4 Cu2 O5 168.7(3) 2 6_586
O10 Cu2 O5 89.3(4) . 6_586
O9 Cu2 O11 101.8(3) 5_586 .
O4 Cu2 O11 97.8(3) 2 .
O10 Cu2 O11 90.3(3) . .
O5 Cu2 O11 93.1(3) 6_586 .
O9 Cu2 Cu2 87.9(2) 5_586 5_586
O4 Cu2 Cu2 85.0(2) 2 5_586
O10 Cu2 Cu2 80.1(2) . 5_586
O5 Cu2 Cu2 83.7(2) 6_586 5_586
O11 Cu2 Cu2 169.9(2) . 5_586
C9 O1 Cu1 116.7(6) . 7_566
C9 O2 Cu1 127.2(6) . .
C10 O6 Cu1 127.8(6) . .
C10 O7 Cu1 117.7(6) . 7_566
C49 N1 C47 117.0(10) . .
C49 N1 Cu1 122.7(8) . .
C47 N1 Cu1 119.5(7) . .
C16 O9 Cu2 120.0(7) . 5_586
C23 O4 Cu2 124.5(7) . 2
C23 O5 Cu2 123.2(7) . 6_585
O1 C9 O2 125.9(9) . .
O1 C9 C37 117.1(9) . .
O2 C9 C37 117.0(8) . .
O6 C10 O7 124.9(9) . .
O6 C10 C12 116.1(9) . .
O7 C10 C12 119.0(9) . .
C29 O8 C30 122.9(9) . .
C21 C12 C35 119.0(10) . .
C21 C12 C10 121.4(10) . .
C35 C12 C10 119.6(10) . .
C16 O10 Cu2 126.8(8) . .
C31 O3 C40 121.7(9) . .
C51 O11 Cu2 117.0(8) . .
O9 C16 O10 124.7(10) . .
O9 C16 C34 121.0(10) . .
O10 C16 C34 114.2(10) . .
C30 C17 C21 121.7(11) . .
C30 C17 H17A 119.1 . .
C21 C17 H17A 119.1 . .
C40 C18 C44 117.4(11) . .
C40 C18 H18A 121.3 . .
C44 C18 H18A 121.3 . .
C51 N2 C53 120.8(12) . .
C51 N2 C61 119.0(11) . .
C53 N2 C61 120.0(11) . .
C33 C20 C26 118.4(10) . .
C33 C20 C23 122.1(10) . .
C26 C20 C23 119.4(10) . .
C12 C21 C17 120.5(10) . .
C12 C21 H21A 119.7 . .
C17 C21 H21A 119.7 . .
C43 C22 C52 115.0(11) . .
C43 C22 C22 124.8(8) . 2
C52 C22 C22 119.8(9) . 2
O4 C23 O5 123.3(9) . .
O4 C23 C20 120.7(9) . .
O5 C23 C20 116.0(9) . .
C40 C24 C27 119.9(10) . .
C40 C24 H24A 120.0 . .
C27 C24 H24A 120.0 . .
C39 C26 C20 119.6(10) . .
C39 C26 H26A 120.2 . .
C20 C26 H26A 120.2 . .
C37 C27 C24 117.0(10) . .
C37 C27 H27A 121.5 . .
C24 C27 H27A 121.5 . .
C34 C28 C32 121.5(10) . .
C34 C28 H28A 119.3 . .
C32 C28 H28A 119.3 . .
O8 C29 C38 118.0(10) . .
O8 C29 C32 122.5(11) . .
C38 C29 C32 119.5(10) . .
C17 C30 O8 120.9(10) . .
C17 C30 C45 117.7(10) . .
O8 C30 C45 121.2(10) . .
O3 C31 C39 123.3(10) . .
O3 C31 C36 117.1(11) . .
C39 C31 C36 119.1(9) . .
C28 C32 C29 118.7(11) . .
C28 C32 H32A 120.7 . .
C29 C32 H32A 120.7 . .
C36 C33 C20 121.9(11) . .
C36 C33 H33A 119.1 . .
C20 C33 H33A 119.1 . .
C28 C34 C41 119.9(10) . .
C28 C34 C16 120.5(10) . .
C41 C34 C16 119.2(10) . .
C45 C35 C12 121.7(11) . .
C45 C35 H35A 119.2 . .
C12 C35 H35A 119.2 . .
C33 C36 C31 120.3(10) . .
C33 C36 H36A 119.8 . .
C31 C36 H36A 119.8 . .
C44 C37 C27 122.6(9) . .
C44 C37 C9 121.3(9) . .
C27 C37 C9 116.2(8) . .
C29 C38 C41 122.0(11) . .
C29 C38 H38A 119.0 . .
C41 C38 H38A 119.0 . .
C31 C39 C26 120.6(10) . .
C31 C39 H39A 119.7 . .
C26 C39 H39A 119.7 . .
C24 C40 O3 124.5(10) . .
C24 C40 C18 122.2(10) . .
O3 C40 C18 113.0(10) . .
C34 C41 C38 118.4(11) . .
C34 C41 H41A 120.8 . .
C38 C41 H41A 120.8 . .
C47 C43 C22 121.5(12) . .
C47 C43 H43A 119.2 . .
C22 C43 H43A 119.2 . .
C37 C44 C18 120.9(11) . .
C37 C44 H44A 119.6 . .
C18 C44 H44A 119.6 . .
C35 C45 C30 119.1(11) . .
C35 C45 H45A 120.4 . .
C30 C45 H45A 120.4 . .
C43 C47 N1 123.0(12) . .
C43 C47 H47A 118.5 . .
N1 C47 H47A 118.5 . .
N1 C49 C52 121.9(13) . .
N1 C49 H49A 119.1 . .
C52 C49 H49A 119.1 . .
O11 C51 N2 125.4(12) . .
O11 C51 H51A 117.3 . .
N2 C51 H51A 117.3 . .
C22 C52 C49 120.4(12) . .
C22 C52 H52A 119.8 . .
C49 C52 H52A 119.8 . .
N2 C53 H53A 109.5 . .
N2 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
N2 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N2 C61 H61A 109.5 . .
N2 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
N2 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O6 1.987(6) .
Cu1 O7 2.017(7) 7_566
Cu1 O2 2.019(6) .
Cu1 O1 2.024(7) 7_566
Cu1 N1 2.187(9) .
Cu1 Cu1 2.652(2) 7_566
Cu2 O9 1.978(7) 5_586
Cu2 O4 1.986(7) 2
Cu2 O10 1.993(8) .
Cu2 O5 1.998(8) 6_586
Cu2 O11 2.216(8) .
Cu2 Cu2 2.668(3) 5_586
O1 C9 1.257(11) .
O1 Cu1 2.024(7) 7_566
O2 C9 1.298(12) .
O6 C10 1.284(12) .
O7 C10 1.287(12) .
O7 Cu1 2.017(7) 7_566
N1 C49 1.315(16) .
N1 C47 1.370(15) .
O9 C16 1.240(14) .
O9 Cu2 1.978(7) 5_586
O4 C23 1.245(13) .
O4 Cu2 1.986(7) 2
O5 C23 1.342(13) .
O5 Cu2 1.998(8) 6_585
C9 C37 1.555(13) .
C10 C12 1.500(15) .
O8 C29 1.355(14) .
O8 C30 1.389(13) .
C12 C21 1.393(16) .
C12 C35 1.394(16) .
O10 C16 1.304(15) .
O3 C31 1.384(14) .
O3 C40 1.386(13) .
O11 C51 1.236(15) .
C16 C34 1.519(16) .
C17 C30 1.378(16) .
C17 C21 1.401(16) .
C17 H17A 0.9300 .
C18 C40 1.422(16) .
C18 C44 1.447(17) .
C18 H18A 0.9300 .
N2 C51 1.357(17) .
N2 C53 1.503(16) .
N2 C61 1.50(2) .
C20 C33 1.417(16) .
C20 C26 1.432(16) .
C20 C23 1.496(15) .
C21 H21A 0.9300 .
C22 C43 1.377(17) .
C22 C52 1.397(17) .
C22 C22 1.45(2) 2
C24 C40 1.365(16) .
C24 C27 1.465(15) .
C24 H24A 0.9300 .
C26 C39 1.427(16) .
C26 H26A 0.9300 .
C27 C37 1.423(14) .
C27 H27A 0.9300 .
C28 C34 1.401(17) .
C28 C32 1.409(17) .
C28 H28A 0.9300 .
C29 C38 1.370(17) .
C29 C32 1.434(16) .
C30 C45 1.462(16) .
C31 C39 1.412(17) .
C31 C36 1.425(16) .
C32 H32A 0.9300 .
C33 C36 1.383(15) .
C33 H33A 0.9300 .
C34 C41 1.403(16) .
C35 C45 1.388(16) .
C35 H35A 0.9300 .
C36 H36A 0.9300 .
C37 C44 1.345(16) .
C38 C41 1.435(17) .
C38 H38A 0.9300 .
C39 H39A 0.9300 .
C41 H41A 0.9300 .
C43 C47 1.362(17) .
C43 H43A 0.9300 .
C44 H44A 0.9300 .
C45 H45A 0.9300 .
C47 H47A 0.9300 .
C49 C52 1.436(17) .
C49 H49A 0.9300 .
C51 H51A 0.9300 .
C52 H52A 0.9300 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C61 H61A 0.9600 .
C61 H61B 0.9600 .
C61 H61C 0.9600 .
