#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:07:15 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/56/7705621.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_7705621
loop_
_publ_author_name
'Gao, Xu-Sheng'
'Ding, Mei-Juan'
'Zhang, Jin'
'Zhao, Li-Duo'
'Ren, Xiao-Ming'
_publ_section_title
;
 Phase selectivity and tunable photophysical nature of rare earth
 metal-organic frameworks of Eu x
 Y₁₋ₓ-PTC (H₃PTC = 2,4,6-pyridine
 tricarboxylic acid; x = 0-1).
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14985
_journal_page_last               14994
_journal_paper_doi               10.1039/d0dt03150j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C16 H16 Eu0.03 N2 O18 Y1.97'
_chemical_formula_weight         703.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-06-27 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.2217(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.3118(5)
_cell_length_b                   6.87590(10)
_cell_length_c                   18.3669(4)
_cell_measurement_reflns_used    7631
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.25
_cell_volume                     2140.82(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28249
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_min         3.196
_exptl_absorpt_coefficient_mu    5.502
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.184
_exptl_crystal_description       block
_exptl_crystal_F_000             1394
_refine_diff_density_max         0.411
_refine_diff_density_min         -1.375
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         4895
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0314P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0613
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4127
_reflns_number_total             4895
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03150j2.cif
_cod_data_source_block           1_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7705619--7705631.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7705621
_shelx_shelxl_version_number     2016/6
_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. 
;
loop_
_space_group_symop_operation_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'
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
Y1 Y 0.37357(2) 0.72295(3) 0.87671(2) 0.00954(6) Uani 0.987 1 d . . P . .
Eu1 Eu 0.37357(2) 0.72295(3) 0.87671(2) 0.00954(6) Uani 0.013 1 d . . P . .
Y2 Y 0.37551(2) 0.75318(3) 0.39574(2) 0.01048(6) Uani 0.987 1 d . . P . .
Eu2 Eu 0.37551(2) 0.75318(3) 0.39574(2) 0.01048(6) Uani 0.013 1 d . . P . .
C1 C 0.30270(15) 0.9657(3) 0.71025(14) 0.0129(5) Uani 1 1 d . . . . .
C2 C 0.38295(15) 0.9128(3) 0.71126(14) 0.0115(5) Uani 1 1 d . . . . .
C3 C 0.40692(15) 0.9348(3) 0.64856(14) 0.0127(5) Uani 1 1 d . . . . .
C4 C 0.48182(15) 0.8724(3) 0.65729(14) 0.0122(5) Uani 1 1 d . . . . .
C5 C 0.50814(15) 0.8740(3) 0.58857(14) 0.0116(5) Uani 1 1 d . . . . .
C6 C 0.53269(15) 0.8021(3) 0.73007(14) 0.0119(5) Uani 1 1 d . . . . .
C7 C 0.50354(14) 0.7839(3) 0.78928(14) 0.0118(5) Uani 1 1 d . . . . .
C8 C 0.55018(15) 0.7041(3) 0.87031(14) 0.0125(5) Uani 1 1 d . . . . .
C9 C 0.24706(15) 0.4235(3) 0.27114(14) 0.0140(5) Uani 1 1 d . . . . .
C10 C 0.18087(15) 0.3561(3) 0.29519(14) 0.0122(5) Uani 1 1 d . . . . .
C11 C 0.18282(16) 0.3643(4) 0.37162(14) 0.0146(5) Uani 1 1 d . . . . .
C12 C 0.11660(15) 0.3063(3) 0.38517(14) 0.0127(5) Uani 1 1 d . . . . .
C13 C 0.11609(15) 0.3049(3) 0.46696(14) 0.0134(5) Uani 1 1 d . . . . .
C14 C 0.05117(15) 0.2374(3) 0.32248(14) 0.0135(5) Uani 1 1 d . . . . .
C15 C 0.05540(15) 0.2255(3) 0.24896(14) 0.0116(5) Uani 1 1 d . . . . .
C16 C -0.00944(15) 0.1453(3) 0.17587(14) 0.0115(5) Uani 1 1 d . . . . .
O1 O 0.28584(11) 0.8906(3) 0.76574(10) 0.0194(4) Uani 1 1 d . . . . .
O2 O 0.25862(11) 1.0751(2) 0.65832(10) 0.0167(4) Uani 1 1 d . . . . .
O3 O 0.50882(11) 0.6675(3) 0.91161(10) 0.0167(4) Uani 1 1 d . . . . .
O4 O 0.62145(11) 0.6803(3) 0.89177(11) 0.0261(5) Uani 1 1 d . . . . .
O5 O 0.45976(11) 0.8157(3) 0.52476(10) 0.0193(4) Uani 1 1 d . . . . .
O6 O 0.57799(11) 0.9273(2) 0.60190(10) 0.0158(4) Uani 1 1 d . . . . .
O7 O 0.30675(11) 0.4932(3) 0.32311(10) 0.0195(4) Uani 1 1 d . . . . .
O8 O 0.23691(11) 0.4017(3) 0.20002(10) 0.0205(4) Uani 1 1 d . . . . .
O9 O 0.18080(11) 0.3150(3) 0.52513(10) 0.0184(4) Uani 1 1 d . . . . .
O10 O 0.05238(11) 0.2856(3) 0.47639(10) 0.0199(4) Uani 1 1 d . . . . .
O11 O -0.07167(11) 0.0855(3) 0.17934(10) 0.0186(4) Uani 1 1 d . . . . .
O12 O 0.00670(11) 0.1461(3) 0.11428(10) 0.0175(4) Uani 1 1 d . . . . .
O13 O 0.36644(13) 0.4604(3) 0.78989(12) 0.0196(4) Uani 1 1 d . . . . .
O14 O 0.37969(15) 0.4305(3) 0.94935(12) 0.0203(4) Uani 1 1 d . . . . .
O15 O 0.40670(16) 1.0573(3) 0.89819(14) 0.0247(5) Uani 1 1 d . . . . .
O16 O 0.28427(13) 0.8116(3) 0.45254(13) 0.0237(5) Uani 1 1 d . . . . .
O17 O 0.39580(14) 0.4603(3) 0.47130(12) 0.0225(4) Uani 1 1 d . . . . .
O18 O 0.28699(16) 0.6116(3) 0.57908(14) 0.0331(6) Uani 1 1 d . . . . .
N1 N 0.42985(12) 0.8330(3) 0.77898(12) 0.0113(4) Uani 1 1 d . . . . .
N2 N 0.11846(12) 0.2863(3) 0.23567(11) 0.0115(4) Uani 1 1 d . . . . .
H3 H 0.3729(18) 0.988(4) 0.6009(17) 0.024(8) Uiso 1 1 d . . . . .
H6 H 0.5833(18) 0.762(3) 0.7368(15) 0.011(7) Uiso 1 1 d . . . . .
H11 H 0.2263(19) 0.410(4) 0.4123(17) 0.023(8) Uiso 1 1 d . . . . .
H13A H 0.3865(19) 0.447(4) 0.7625(17) 0.017(9) Uiso 1 1 d . . . . .
H13B H 0.312(2) 0.422(5) 0.765(2) 0.049(11) Uiso 1 1 d . . . . .
H14 H 0.0092(17) 0.200(4) 0.3304(16) 0.012(7) Uiso 1 1 d . . . . .
H14A H 0.342(2) 0.420(5) 0.951(2) 0.038(13) Uiso 1 1 d . . . . .
H14B H 0.418(3) 0.412(6) 0.997(3) 0.062(13) Uiso 1 1 d . . . . .
H15A H 0.453(3) 1.098(5) 0.927(2) 0.050(12) Uiso 1 1 d . . . . .
H15B H 0.385(3) 1.134(6) 0.888(2) 0.054(16) Uiso 1 1 d . . . . .
H16A H 0.245(3) 0.812(6) 0.429(2) 0.052(14) Uiso 1 1 d . . . . .
H16B H 0.283(3) 0.744(6) 0.498(3) 0.070(14) Uiso 1 1 d . . . . .
H17A H 0.434(3) 0.444(5) 0.510(2) 0.055(13) Uiso 1 1 d . . . . .
H17B H 0.390(2) 0.361(5) 0.448(2) 0.044(12) Uiso 1 1 d . . . . .
H18A H 0.250(3) 0.510(6) 0.559(2) 0.064(13) Uiso 1 1 d . . . . .
H18B H 0.327(3) 0.573(6) 0.600(2) 0.048(14) Uiso 1 1 d . . . . .
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'
Eu Eu -0.1578 3.6682 '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'
Y Y -2.7962 3.5667 '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
_geom_angle_publ_flag
O3 Y1 O1 128.23(6) . . ?
O3 Y1 O15 86.27(8) . . ?
O1 Y1 O15 73.65(8) . . ?
O3 Y1 O13 81.04(7) . . ?
O1 Y1 O13 86.84(7) . . ?
O15 Y1 O13 142.41(8) . . ?
O3 Y1 O14 83.61(7) . . ?
O1 Y1 O14 139.82(8) . . ?
O15 Y1 O14 140.06(8) . . ?
O13 Y1 O14 73.46(7) . . ?
O3 Y1 O9 121.50(6) . 2_556 ?
O1 Y1 O9 100.12(6) . 2_556 ?
O15 Y1 O9 77.10(7) . 2_556 ?
O13 Y1 O9 139.01(7) . 2_556 ?
O14 Y1 O9 75.70(7) . 2_556 ?
O3 Y1 O2 146.38(6) . 2_546 ?
O1 Y1 O2 72.38(6) . 2_546 ?
O15 Y1 O2 127.19(8) . 2_546 ?
O13 Y1 O2 73.38(7) . 2_546 ?
O14 Y1 O2 68.58(7) . 2_546 ?
O9 Y1 O2 70.59(6) 2_556 2_546 ?
O3 Y1 N1 64.27(6) . . ?
O1 Y1 N1 64.14(7) . . ?
O15 Y1 N1 71.17(7) . . ?
O13 Y1 N1 71.43(7) . . ?
O14 Y1 N1 135.19(7) . . ?
O9 Y1 N1 147.41(7) 2_556 . ?
O2 Y1 N1 124.44(6) 2_546 . ?
O3 Y1 O10 69.81(6) . 2_556 ?
O1 Y1 O10 138.07(6) . 2_556 ?
O15 Y1 O10 70.18(7) . 2_556 ?
O13 Y1 O10 135.07(7) . 2_556 ?
O14 Y1 O10 70.05(7) . 2_556 ?
O9 Y1 O10 51.73(6) 2_556 2_556 ?
O2 Y1 O10 114.81(6) 2_546 2_556 ?
N1 Y1 O10 120.55(6) . 2_556 ?
O3 Y1 C13 95.48(7) . 2_556 ?
O1 Y1 C13 122.32(7) . 2_556 ?
O15 Y1 C13 74.12(7) . 2_556 ?
O13 Y1 C13 142.01(7) . 2_556 ?
O14 Y1 C13 68.57(7) . 2_556 ?
O9 Y1 C13 26.04(7) 2_556 2_556 ?
O2 Y1 C13 91.65(7) 2_546 2_556 ?
N1 Y1 C13 140.51(7) . 2_556 ?
O10 Y1 C13 25.89(6) 2_556 2_556 ?
O7 Y2 O16 93.79(8) . . ?
O7 Y2 O5 137.81(6) . . ?
O16 Y2 O5 79.78(7) . . ?
O7 Y2 O6 148.44(6) . 3_676 ?
O16 Y2 O6 98.50(7) . 3_676 ?
O5 Y2 O6 73.30(6) . 3_676 ?
O7 Y2 O12 91.62(7) . 2 ?
O16 Y2 O12 158.33(7) . 2 ?
O5 Y2 O12 82.13(6) . 2 ?
O6 Y2 O12 87.56(6) 3_676 2 ?
O7 Y2 O8 76.91(7) . 2 ?
O16 Y2 O8 71.81(7) . 2 ?
O5 Y2 O8 136.91(6) . 2 ?
O6 Y2 O8 79.52(6) 3_676 2 ?
O12 Y2 O8 129.85(6) 2 2 ?
O7 Y2 O17 67.25(7) . . ?
O16 Y2 O17 82.24(8) . . ?
O5 Y2 O17 70.56(7) . . ?
O6 Y2 O17 143.12(7) 3_676 . ?
O12 Y2 O17 80.56(7) 2 . ?
O8 Y2 O17 133.83(7) 2 . ?
O7 Y2 N2 73.84(6) . 2 ?
O16 Y2 N2 137.02(7) . 2 ?
O5 Y2 N2 136.15(7) . 2 ?
O6 Y2 N2 77.40(6) 3_676 2 ?
O12 Y2 N2 64.58(6) 2 2 ?
O8 Y2 N2 65.34(6) 2 2 ?
O17 Y2 N2 126.16(7) . 2 ?
O2 C1 O1 125.0(2) . . ?
O2 C1 C2 120.2(2) . . ?
O1 C1 C2 114.9(2) . . ?
N1 C2 C3 121.7(2) . . ?
N1 C2 C1 113.1(2) . . ?
C3 C2 C1 125.2(2) . . ?
C2 C3 C4 118.7(2) . . ?
C3 C4 C6 119.4(2) . . ?
C3 C4 C5 121.0(2) . . ?
C6 C4 C5 119.6(2) . . ?
O5 C5 O6 126.0(2) . . ?
O5 C5 C4 116.6(2) . . ?
O6 C5 C4 117.4(2) . . ?
C7 C6 C4 117.8(2) . . ?
N1 C7 C6 122.4(2) . . ?
N1 C7 C8 113.4(2) . . ?
C6 C7 C8 124.3(2) . . ?
O4 C8 O3 125.4(2) . . ?
O4 C8 C7 120.2(2) . . ?
O3 C8 C7 114.4(2) . . ?
O7 C9 O8 125.8(2) . . ?
O7 C9 C10 117.6(2) . . ?
O8 C9 C10 116.6(2) . . ?
N2 C10 C11 121.8(2) . . ?
N2 C10 C9 113.8(2) . . ?
C11 C10 C9 124.4(2) . . ?
C12 C11 C10 118.6(2) . . ?
C11 C12 C14 119.1(2) . . ?
C11 C12 C13 121.1(2) . . ?
C14 C12 C13 119.6(2) . . ?
O10 C13 O9 121.0(2) . . ?
O10 C13 C12 119.8(2) . . ?
O9 C13 C12 119.1(2) . . ?
O10 C13 Y1 63.32(12) . 2_546 ?
O9 C13 Y1 58.45(12) . 2_546 ?
C12 C13 Y1 168.32(16) . 2_546 ?
C15 C14 C12 118.6(2) . . ?
N2 C15 C14 122.1(2) . . ?
N2 C15 C16 113.1(2) . . ?
C14 C15 C16 124.7(2) . . ?
O11 C16 O12 125.2(2) . . ?
O11 C16 C15 120.2(2) . . ?
O12 C16 C15 114.6(2) . . ?
C1 O1 Y1 126.39(16) . . ?
C1 O2 Y1 137.33(17) . 2_556 ?
C8 O3 Y1 127.26(15) . . ?
C5 O5 Y2 170.05(17) . . ?
C5 O6 Y2 127.50(15) . 3_676 ?
C9 O7 Y2 150.96(17) . . ?
C9 O8 Y2 124.56(17) . 2_545 ?
C13 O9 Y1 95.51(15) . 2_546 ?
C13 O10 Y1 90.79(14) . 2_546 ?
C16 O12 Y2 126.81(16) . 2_545 ?
C7 N1 C2 119.8(2) . . ?
C7 N1 Y1 119.42(15) . . ?
C2 N1 Y1 119.94(16) . . ?
C15 N2 C10 119.6(2) . . ?
C15 N2 Y2 120.79(15) . 2_545 ?
C10 N2 Y2 119.49(16) . 2_545 ?
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
Y1 O3 2.3429(18) . ?
Y1 O1 2.3637(17) . ?
Y1 O15 2.372(2) . ?
Y1 O13 2.3792(19) . ?
Y1 O14 2.3923(19) . ?
Y1 O9 2.4495(18) 2_556 ?
Y1 O2 2.4756(18) 2_546 ?
Y1 N1 2.501(2) . ?
Y1 O10 2.5568(17) 2_556 ?
Y1 C13 2.861(2) 2_556 ?
Y2 O7 2.2998(17) . ?
Y2 O16 2.315(2) . ?
Y2 O5 2.3270(17) . ?
Y2 O6 2.3504(17) 3_676 ?
Y2 O12 2.3514(18) 2 ?
Y2 O8 2.3741(18) 2 ?
Y2 O17 2.3939(19) . ?
Y2 N2 2.468(2) 2 ?
C1 O2 1.243(3) . ?
C1 O1 1.280(3) . ?
C1 C2 1.507(3) . ?
C2 N1 1.333(3) . ?
C2 C3 1.387(3) . ?
C3 C4 1.388(4) . ?
C4 C6 1.395(3) . ?
C4 C5 1.512(3) . ?
C5 O5 1.238(3) . ?
C5 O6 1.262(3) . ?
C6 C7 1.386(3) . ?
C7 N1 1.333(3) . ?
C7 C8 1.511(3) . ?
C8 O4 1.223(3) . ?
C8 O3 1.283(3) . ?
C9 O7 1.244(3) . ?
C9 O8 1.257(3) . ?
C9 C10 1.511(3) . ?
C10 N2 1.337(3) . ?
C10 C11 1.392(3) . ?
C11 C12 1.385(4) . ?
C12 C14 1.394(3) . ?
C12 C13 1.506(3) . ?
C13 O10 1.249(3) . ?
C13 O9 1.262(3) . ?
C14 C15 1.384(3) . ?
C15 N2 1.334(3) . ?
C15 C16 1.520(3) . ?
C16 O11 1.235(3) . ?
C16 O12 1.273(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C1 C2 N1 165.6(2) . . . . ?
O1 C1 C2 N1 -14.2(3) . . . . ?
O2 C1 C2 C3 -17.0(4) . . . . ?
O1 C1 C2 C3 163.3(2) . . . . ?
N1 C2 C3 C4 -0.3(4) . . . . ?
C1 C2 C3 C4 -177.5(2) . . . . ?
C2 C3 C4 C6 -4.4(3) . . . . ?
C2 C3 C4 C5 173.8(2) . . . . ?
C3 C4 C5 O5 -42.9(3) . . . . ?
C6 C4 C5 O5 135.3(2) . . . . ?
C3 C4 C5 O6 139.7(2) . . . . ?
C6 C4 C5 O6 -42.1(3) . . . . ?
C3 C4 C6 C7 4.9(3) . . . . ?
C5 C4 C6 C7 -173.4(2) . . . . ?
C4 C6 C7 N1 -0.8(4) . . . . ?
C4 C6 C7 C8 177.9(2) . . . . ?
N1 C7 C8 O4 -169.2(2) . . . . ?
C6 C7 C8 O4 12.0(4) . . . . ?
N1 C7 C8 O3 10.5(3) . . . . ?
C6 C7 C8 O3 -168.3(2) . . . . ?
O7 C9 C10 N2 178.9(2) . . . . ?
O8 C9 C10 N2 -1.8(3) . . . . ?
O7 C9 C10 C11 -1.0(4) . . . . ?
O8 C9 C10 C11 178.3(2) . . . . ?
N2 C10 C11 C12 -2.9(4) . . . . ?
C9 C10 C11 C12 176.9(2) . . . . ?
C10 C11 C12 C14 1.6(4) . . . . ?
C10 C11 C12 C13 177.8(2) . . . . ?
C11 C12 C13 O10 167.4(2) . . . . ?
C14 C12 C13 O10 -16.4(3) . . . . ?
C11 C12 C13 O9 -15.6(4) . . . . ?
C14 C12 C13 O9 160.6(2) . . . . ?
C11 C12 C13 Y1 -90.1(9) . . . 2_546 ?
C14 C12 C13 Y1 86.1(9) . . . 2_546 ?
C11 C12 C14 C15 1.4(4) . . . . ?
C13 C12 C14 C15 -174.9(2) . . . . ?
C12 C14 C15 N2 -3.2(4) . . . . ?
C12 C14 C15 C16 177.1(2) . . . . ?
N2 C15 C16 O11 -179.3(2) . . . . ?
C14 C15 C16 O11 0.4(4) . . . . ?
N2 C15 C16 O12 0.9(3) . . . . ?
C14 C15 C16 O12 -179.4(2) . . . . ?
O2 C1 O1 Y1 -169.76(17) . . . . ?
C2 C1 O1 Y1 10.0(3) . . . . ?
O1 C1 O2 Y1 1.3(4) . . . 2_556 ?
C2 C1 O2 Y1 -178.41(15) . . . 2_556 ?
O4 C8 O3 Y1 176.90(19) . . . . ?
C7 C8 O3 Y1 -2.8(3) . . . . ?
O5 C5 O6 Y2 97.8(3) . . . 3_676 ?
C4 C5 O6 Y2 -85.0(2) . . . 3_676 ?
O8 C9 O7 Y2 92.5(4) . . . . ?
C10 C9 O7 Y2 -88.3(4) . . . . ?
O7 C9 O8 Y2 176.76(18) . . . 2_545 ?
C10 C9 O8 Y2 -2.4(3) . . . 2_545 ?
O10 C13 O9 Y1 10.1(2) . . . 2_546 ?
C12 C13 O9 Y1 -166.76(18) . . . 2_546 ?
O9 C13 O10 Y1 -9.7(2) . . . 2_546 ?
C12 C13 O10 Y1 167.21(19) . . . 2_546 ?
O11 C16 O12 Y2 -178.99(17) . . . 2_545 ?
C15 C16 O12 Y2 0.8(3) . . . 2_545 ?
C6 C7 N1 C2 -3.9(3) . . . . ?
C8 C7 N1 C2 177.29(19) . . . . ?
C6 C7 N1 Y1 165.59(18) . . . . ?
C8 C7 N1 Y1 -13.2(3) . . . . ?
C3 C2 N1 C7 4.4(3) . . . . ?
C1 C2 N1 C7 -178.1(2) . . . . ?
C3 C2 N1 Y1 -165.01(18) . . . . ?
C1 C2 N1 Y1 12.5(3) . . . . ?
C14 C15 N2 C10 1.9(4) . . . . ?
C16 C15 N2 C10 -178.38(19) . . . . ?
C14 C15 N2 Y2 178.24(17) . . . 2_545 ?
C16 C15 N2 Y2 -2.1(3) . . . 2_545 ?
C11 C10 N2 C15 1.2(4) . . . . ?
C9 C10 N2 C15 -178.7(2) . . . . ?
C11 C10 N2 Y2 -175.14(18) . . . 2_545 ?
C9 C10 N2 Y2 4.9(3) . . . 2_545 ?
