#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:27:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179750 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/46/7004632.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_7004632
loop_
_publ_author_name
'Bachmann, Julien'
'Teets, Thomas S.'
'Nocera, Daniel G.'
_publ_section_title
;
 Proton storage in the periphery of zirconium(iv) porphyrinogen
;
_journal_issue                   34
_journal_name_full               'Dalton Transactions'
_journal_page_first              4549
_journal_paper_doi               10.1039/b809366k
_journal_year                    2008
_chemical_formula_sum            'C34 H47 N5 O Zr'
_chemical_formula_weight         632.99
_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                 109.9060(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.8193(11)
_cell_length_b                   17.7496(10)
_cell_length_c                   18.6897(11)
_cell_measurement_temperature    293(2)
_cell_volume                     6181.9(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0584
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14952
_diffrn_reflns_theta_full        23.27
_diffrn_reflns_theta_max         23.27
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.391
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         4449
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0319
_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)+(0.0328P)²+10.0227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0791
_reflns_number_gt                3803
_reflns_number_total             4449
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b809366k.txt
_cod_data_source_block           c05051t
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7004632
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zr1 Zr 0.222013(13) 0.013541(14) 0.599470(14) 0.01624(11) Uani 1 1 d . . .
N1 N 0.23635(11) -0.10293(12) 0.64954(12) 0.0186(5) Uani 1 1 d . . .
N2 N 0.13792(12) 0.01616(12) 0.65341(12) 0.0189(5) Uani 1 1 d . . .
N3 N 0.24211(12) 0.15176(13) 0.59968(13) 0.0245(6) Uani 1 1 d . . .
N4 N 0.32503(12) -0.00268(12) 0.58008(13) 0.0204(5) Uani 1 1 d . . .
N5 N 0.16441(14) -0.06364(15) 0.49072(14) 0.0251(6) Uani 1 1 d . . .
O1 O 0.29695(10) 0.04371(11) 0.72043(10) 0.0220(4) Uani 1 1 d . . .
C1 C 0.27935(15) -0.14977(16) 0.62262(16) 0.0221(6) Uani 1 1 d . . .
C2 C 0.24214(17) -0.21382(17) 0.59220(17) 0.0266(7) Uani 1 1 d . . .
C3 C 0.17469(16) -0.20970(17) 0.60144(16) 0.0235(7) Uani 1 1 d . . .
C4 C 0.17261(14) -0.14315(16) 0.63769(15) 0.0200(6) Uani 1 1 d . . .
C5 C 0.11872(14) -0.12275(16) 0.67575(15) 0.0211(6) Uani 1 1 d . . .
C6 C 0.13765(19) -0.1677(2) 0.75007(18) 0.0298(7) Uani 1 1 d . . .
C7 C 0.04265(18) -0.1467(2) 0.6237(2) 0.0324(8) Uani 1 1 d . . .
C8 C 0.11653(14) -0.03990(16) 0.69340(15) 0.0212(6) Uani 1 1 d . . .
C9 C 0.08644(16) -0.00746(17) 0.74187(17) 0.0262(7) Uani 1 1 d . . .
C10 C 0.08802(16) 0.07134(18) 0.73260(17) 0.0266(7) Uani 1 1 d . . .
C11 C 0.11903(14) 0.08455(16) 0.67885(16) 0.0219(6) Uani 1 1 d . . .
C12 C 0.13772(15) 0.15946(16) 0.65128(16) 0.0234(7) Uani 1 1 d . . .
C13 C 0.19118(19) 0.20292(19) 0.71765(19) 0.0273(7) Uani 1 1 d . . .
C14 C 0.06951(17) 0.20732(19) 0.6171(2) 0.0283(7) Uani 1 1 d . . .
C15 C 0.17042(14) 0.14282(15) 0.59110(15) 0.0189(6) Uani 1 1 d . . .
C16 C 0.13483(16) 0.11103(16) 0.51989(16) 0.0217(6) Uani 1 1 d . . .
C17 C 0.18511(16) 0.10184(16) 0.48389(18) 0.0219(7) Uani 1 1 d . . .
C18 C 0.25030(15) 0.12775(15) 0.53249(15) 0.0209(6) Uani 1 1 d . . .
C19 C 0.32140(15) 0.12620(15) 0.51974(15) 0.0213(6) Uani 1 1 d . . .
C20 C 0.36929(19) 0.19170(19) 0.5625(2) 0.0310(7) Uani 1 1 d . . .
C21 C 0.3083(2) 0.1349(2) 0.43425(18) 0.0296(7) Uani 1 1 d . . .
C22 C 0.35695(14) 0.05074(16) 0.54714(15) 0.0202(6) Uani 1 1 d . . .
C23 C 0.42032(16) 0.02392(17) 0.54405(17) 0.0259(7) Uani 1 1 d . . .
C24 C 0.42952(16) -0.04953(18) 0.57586(17) 0.0265(7) Uani 1 1 d . . .
C25 C 0.37127(15) -0.06440(16) 0.59733(16) 0.0220(6) Uani 1 1 d . . .
C26 C 0.35830(16) -0.13276(16) 0.63927(17) 0.0272(7) Uani 1 1 d . . .
C27 C 0.39306(18) -0.1196(2) 0.72575(19) 0.0325(8) Uani 1 1 d . . .
C28 C 0.3944(2) -0.2013(2) 0.6180(2) 0.0377(9) Uani 1 1 d . . .
C29 C 0.2028(2) -0.0757(2) 0.43610(19) 0.0319(8) Uani 1 1 d . . .
C30 C 0.08661(18) -0.0530(2) 0.44905(19) 0.0326(8) Uani 1 1 d . . .
C31 C 0.36639(17) 0.0823(2) 0.74038(18) 0.0299(7) Uani 1 1 d . . .
C32 C 0.40047(19) 0.0726(2) 0.82511(19) 0.0392(9) Uani 1 1 d . . .
C33 C 0.33785(18) 0.0665(2) 0.85303(18) 0.0353(8) Uani 1 1 d . . .
C34 C 0.28422(17) 0.02194(19) 0.79078(16) 0.0261(7) Uani 1 1 d . . .
H1 H 0.2587(16) -0.2512(18) 0.5716(17) 0.030(9) Uiso 1 1 d . . .
H2 H 0.1405(15) -0.2463(16) 0.5865(15) 0.019(8) Uiso 1 1 d . . .
H3 H 0.1857(17) -0.1544(16) 0.7860(17) 0.027(8) Uiso 1 1 d . . .
H4 H 0.1345(17) -0.217(2) 0.7380(18) 0.035(9) Uiso 1 1 d . . .
H5 H 0.1006(18) -0.1609(18) 0.7757(18) 0.040(9) Uiso 1 1 d . . .
H6 H 0.0270(18) -0.119(2) 0.576(2) 0.047(10) Uiso 1 1 d . . .
H7 H 0.0414(17) -0.202(2) 0.6135(18) 0.035(9) Uiso 1 1 d . . .
H8 H 0.0120(17) -0.1397(17) 0.6483(17) 0.027(9) Uiso 1 1 d . . .
H9 H 0.0678(15) -0.0326(16) 0.7739(16) 0.020(8) Uiso 1 1 d . . .
H10 H 0.0722(17) 0.1064(19) 0.7572(19) 0.039(10) Uiso 1 1 d . . .
H11 H 0.2022(16) 0.2507(19) 0.7024(17) 0.031(9) Uiso 1 1 d . . .
H12 H 0.2362(16) 0.1742(17) 0.7388(16) 0.022(8) Uiso 1 1 d . . .
H13 H 0.1711(17) 0.2096(17) 0.7546(19) 0.032(9) Uiso 1 1 d . . .
H14 H 0.0803(15) 0.2552(18) 0.5992(16) 0.023(8) Uiso 1 1 d . . .
H15 H 0.0341(17) 0.1810(18) 0.5762(18) 0.032(9) Uiso 1 1 d . . .
H16 H 0.0444(16) 0.2157(17) 0.6520(18) 0.031(9) Uiso 1 1 d . . .
H17 H 0.0883(17) 0.0986(18) 0.5022(18) 0.034(9) Uiso 1 1 d . . .
H18 H 0.1762(15) 0.0856(16) 0.4405(18) 0.020(8) Uiso 1 1 d . . .
H19 H 0.3520(17) 0.1337(17) 0.4271(17) 0.028(9) Uiso 1 1 d . . .
H20 H 0.2787(17) 0.096(2) 0.4045(18) 0.037(9) Uiso 1 1 d . . .
H21 H 0.2873(16) 0.179(2) 0.4185(17) 0.030(9) Uiso 1 1 d . . .
H22 H 0.4149(16) 0.1908(16) 0.5543(15) 0.021(8) Uiso 1 1 d . . .
H23 H 0.3809(17) 0.1860(18) 0.617(2) 0.039(9) Uiso 1 1 d . . .
H24 H 0.3453(15) 0.2394(19) 0.5459(17) 0.028(8) Uiso 1 1 d . . .
H25 H 0.4509(15) 0.0467(17) 0.5260(16) 0.021(8) Uiso 1 1 d . . .
H26 H 0.4642(16) -0.0822(16) 0.5792(16) 0.022(8) Uiso 1 1 d . . .
H27 H 0.4430(18) -0.1083(18) 0.7383(18) 0.038(9) Uiso 1 1 d . . .
H28 H 0.3886(16) -0.164(2) 0.7545(18) 0.038(9) Uiso 1 1 d . . .
H29 H 0.3729(18) -0.078(2) 0.7414(19) 0.041(10) Uiso 1 1 d . . .
H30 H 0.4455(17) -0.1917(17) 0.6295(16) 0.029(8) Uiso 1 1 d . . .
H31 H 0.3734(15) -0.2100(15) 0.5634(18) 0.018(8) Uiso 1 1 d . . .
H32 H 0.3886(16) -0.246(2) 0.6462(18) 0.038(9) Uiso 1 1 d . . .
H33 H 0.1679(15) -0.1032(17) 0.5115(16) 0.014(8) Uiso 1 1 d . . .
H34 H 0.2023(18) -0.031(2) 0.4088(19) 0.039(10) Uiso 1 1 d . . .
H35 H 0.2534(19) -0.0883(19) 0.4611(19) 0.042(10) Uiso 1 1 d . . .
H36 H 0.1801(19) -0.112(2) 0.403(2) 0.048(11) Uiso 1 1 d . . .
H37 H 0.0797(17) -0.0075(18) 0.4150(19) 0.035(9) Uiso 1 1 d . . .
H38 H 0.0670(17) -0.0956(19) 0.4178(19) 0.037(9) Uiso 1 1 d . . .
H39 H 0.0631(14) -0.0430(16) 0.4859(16) 0.018(7) Uiso 1 1 d . . .
H40 H 0.3564(15) 0.1342(19) 0.7272(16) 0.026(8) Uiso 1 1 d . . .
H41 H 0.3923(15) 0.0607(16) 0.7105(16) 0.021(8) Uiso 1 1 d . . .
H42 H 0.4300(18) 0.112(2) 0.845(2) 0.043(10) Uiso 1 1 d . . .
H43 H 0.4284(19) 0.028(2) 0.834(2) 0.046(11) Uiso 1 1 d . . .
H44 H 0.3181(17) 0.119(2) 0.8556(18) 0.042(10) Uiso 1 1 d . . .
H45 H 0.3510(17) 0.0423(19) 0.902(2) 0.039(9) Uiso 1 1 d . . .
H46 H 0.2377(17) 0.0309(15) 0.7841(15) 0.018(8) Uiso 1 1 d . . .
H47 H 0.2947(15) -0.0356(18) 0.7956(16) 0.026(8) 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'
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'
Zr Zr -2.9673 0.5597 '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
N4 Zr1 N2 162.57(8) . . ?
N4 Zr1 N1 87.45(8) . . ?
N2 Zr1 N1 80.69(8) . . ?
N4 Zr1 O1 82.44(8) . . ?
N2 Zr1 O1 83.26(7) . . ?
N1 Zr1 O1 81.80(7) . . ?
N4 Zr1 N5 89.22(9) . . ?
N2 Zr1 N5 100.52(8) . . ?
N1 Zr1 N5 77.48(9) . . ?
O1 Zr1 N5 157.98(8) . . ?
N4 Zr1 N3 88.42(8) . . ?
N2 Zr1 N3 97.08(8) . . ?
N1 Zr1 N3 155.52(8) . . ?
O1 Zr1 N3 73.73(7) . . ?
N5 Zr1 N3 126.59(8) . . ?
N4 Zr1 C15 119.42(9) . . ?
N2 Zr1 C15 69.80(8) . . ?
N1 Zr1 C15 149.67(8) . . ?
O1 Zr1 C15 87.78(8) . . ?
N5 Zr1 C15 113.97(9) . . ?
N3 Zr1 C15 32.26(8) . . ?
N4 Zr1 C16 118.38(9) . . ?
N2 Zr1 C16 77.61(9) . . ?
N1 Zr1 C16 146.68(9) . . ?
O1 Zr1 C16 119.93(8) . . ?
N5 Zr1 C16 81.95(9) . . ?
N3 Zr1 C16 53.47(9) . . ?
C15 Zr1 C16 32.18(9) . . ?
N4 Zr1 C18 69.67(9) . . ?
N2 Zr1 C18 122.11(8) . . ?
N1 Zr1 C18 157.00(8) . . ?
O1 Zr1 C18 96.96(8) . . ?
N5 Zr1 C18 99.18(9) . . ?
N3 Zr1 C18 31.99(8) . . ?
C15 Zr1 C18 52.44(9) . . ?
C16 Zr1 C18 52.29(9) . . ?
N4 Zr1 C17 87.48(9) . . ?
N2 Zr1 C17 109.05(9) . . ?
N1 Zr1 C17 150.70(9) . . ?
O1 Zr1 C17 125.98(8) . . ?
N5 Zr1 C17 73.62(10) . . ?
N3 Zr1 C17 52.97(9) . . ?
C15 Zr1 C17 52.57(9) . . ?
C16 Zr1 C17 31.58(9) . . ?
C18 Zr1 C17 31.36(9) . . ?
C1 N1 C4 105.5(2) . . ?
C1 N1 Zr1 113.74(17) . . ?
C4 N1 Zr1 115.05(16) . . ?
C8 N2 C11 105.7(2) . . ?
C8 N2 Zr1 129.79(18) . . ?
C11 N2 Zr1 120.04(17) . . ?
C15 N3 C18 107.0(2) . . ?
C15 N3 Zr1 74.27(15) . . ?
C18 N3 Zr1 76.31(15) . . ?
C25 N4 C22 106.0(2) . . ?
C25 N4 Zr1 129.47(18) . . ?
C22 N4 Zr1 124.55(18) . . ?
C29 N5 C30 110.0(3) . . ?
C29 N5 Zr1 117.3(2) . . ?
C30 N5 Zr1 118.8(2) . . ?
C31 O1 C34 109.1(2) . . ?
C31 O1 Zr1 126.36(17) . . ?
C34 O1 Zr1 124.44(16) . . ?
C2 C1 N1 109.5(3) . . ?
C2 C1 C26 128.5(3) . . ?
N1 C1 C26 121.3(2) . . ?
C1 C2 C3 107.8(3) . . ?
C4 C3 C2 107.2(3) . . ?
C3 C4 N1 109.9(2) . . ?
C3 C4 C5 125.7(3) . . ?
N1 C4 C5 123.1(2) . . ?
C8 C5 C4 114.3(2) . . ?
C8 C5 C6 108.9(2) . . ?
C4 C5 C6 107.9(2) . . ?
C8 C5 C7 108.1(2) . . ?
C4 C5 C7 109.3(2) . . ?
C6 C5 C7 108.2(3) . . ?
C9 C8 N2 109.6(3) . . ?
C9 C8 C5 127.2(3) . . ?
N2 C8 C5 122.7(2) . . ?
C8 C9 C10 107.6(3) . . ?
C11 C10 C9 107.2(3) . . ?
C10 C11 N2 109.9(3) . . ?
C10 C11 C12 128.6(3) . . ?
N2 C11 C12 121.3(2) . . ?
C15 C12 C11 107.4(2) . . ?
C15 C12 C13 110.3(2) . . ?
C11 C12 C13 110.3(2) . . ?
C15 C12 C14 109.8(2) . . ?
C11 C12 C14 110.1(2) . . ?
C13 C12 C14 108.9(2) . . ?
N3 C15 C16 108.8(2) . . ?
N3 C15 C12 125.2(2) . . ?
C16 C15 C12 125.8(3) . . ?
N3 C15 Zr1 73.47(14) . . ?
C16 C15 Zr1 75.60(16) . . ?
C12 C15 Zr1 113.88(18) . . ?
C17 C16 C15 107.2(3) . . ?
C17 C16 Zr1 75.30(17) . . ?
C15 C16 Zr1 72.22(15) . . ?
C18 C17 C16 107.9(3) . . ?
C18 C17 Zr1 73.43(16) . . ?
C16 C17 Zr1 73.12(17) . . ?
C17 C18 N3 109.0(3) . . ?
C17 C18 C19 127.3(3) . . ?
N3 C18 C19 123.6(2) . . ?
C17 C18 Zr1 75.21(17) . . ?
N3 C18 Zr1 71.70(15) . . ?
C19 C18 Zr1 115.97(17) . . ?
C18 C19 C22 108.3(2) . . ?
C18 C19 C21 109.1(2) . . ?
C22 C19 C21 109.5(2) . . ?
C18 C19 C20 110.4(2) . . ?
C22 C19 C20 110.9(2) . . ?
C21 C19 C20 108.7(3) . . ?
C23 C22 N4 110.2(2) . . ?
C23 C22 C19 128.5(3) . . ?
N4 C22 C19 121.4(2) . . ?
C22 C23 C24 107.0(3) . . ?
C25 C24 C23 107.4(3) . . ?
C24 C25 N4 109.5(3) . . ?
C24 C25 C26 127.9(3) . . ?
N4 C25 C26 122.4(2) . . ?
C25 C26 C1 113.5(2) . . ?
C25 C26 C28 109.0(3) . . ?
C1 C26 C28 109.2(3) . . ?
C25 C26 C27 109.1(3) . . ?
C1 C26 C27 107.8(2) . . ?
C28 C26 C27 108.1(3) . . ?
O1 C31 C32 105.1(3) . . ?
C31 C32 C33 104.2(3) . . ?
C32 C33 C34 102.6(3) . . ?
O1 C34 C33 105.2(2) . . ?
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
Zr1 N4 2.211(2) . ?
Zr1 N2 2.223(2) . ?
Zr1 N1 2.247(2) . ?
Zr1 O1 2.3059(18) . ?
Zr1 N5 2.394(2) . ?
Zr1 N3 2.485(2) . ?
Zr1 C15 2.495(3) . ?
Zr1 C16 2.538(3) . ?
Zr1 C18 2.543(3) . ?
Zr1 C17 2.566(3) . ?
N1 C1 1.401(3) . ?
N1 C4 1.401(3) . ?
N2 C8 1.394(4) . ?
N2 C11 1.400(4) . ?
N3 C15 1.384(4) . ?
N3 C18 1.387(4) . ?
N4 C25 1.394(4) . ?
N4 C22 1.394(4) . ?
N5 C29 1.482(4) . ?
N5 C30 1.484(4) . ?
O1 C31 1.467(4) . ?
O1 C34 1.472(3) . ?
C1 C2 1.369(4) . ?
C1 C26 1.518(4) . ?
C2 C3 1.407(4) . ?
C3 C4 1.369(4) . ?
C4 C5 1.515(4) . ?
C5 C8 1.511(4) . ?
C5 C6 1.533(4) . ?
C5 C7 1.550(4) . ?
C8 C9 1.370(4) . ?
C9 C10 1.411(4) . ?
C10 C11 1.365(4) . ?
C11 C12 1.517(4) . ?
C12 C15 1.506(4) . ?
C12 C13 1.537(4) . ?
C12 C14 1.539(4) . ?
C15 C16 1.396(4) . ?
C16 C17 1.389(4) . ?
C17 C18 1.381(4) . ?
C18 C19 1.507(4) . ?
C19 C22 1.519(4) . ?
C19 C21 1.537(4) . ?
C19 C20 1.541(4) . ?
C22 C23 1.363(4) . ?
C23 C24 1.419(4) . ?
C24 C25 1.371(4) . ?
C25 C26 1.513(4) . ?
C26 C28 1.530(4) . ?
C26 C27 1.544(5) . ?
C31 C32 1.505(5) . ?
C32 C33 1.505(5) . ?
C33 C34 1.505(4) . ?
