#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:43:06 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179152 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/13/4311388.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_4311388
loop_
_publ_author_name
'A-Qing Wu'
'Fa-Kun Zheng'
'Wen-Tong Chen'
'Li-Zhen Cai'
'Guo-Cong Guo'
'Jin-Shun Huang'
'Zhen-Chao Dong'
'Yoshihiko Takano'
_publ_section_title
;
 Two Series of Novel Rare Earth Complexes with Dicyanamide
 [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and
 [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal
 Structures, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4839
_journal_page_last               4845
_journal_paper_doi               10.1021/ic035470j
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C42 H30 N15 O3 Pr'
_chemical_formula_weight         933.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 91.094(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.272(4)
_cell_length_b                   16.596(5)
_cell_length_c                   17.282(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.04
_cell_volume                     4093(2)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Siemens SHELXTLTM 5'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_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  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33953
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    1.250
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear; Rigaku, 2002)'
_exptl_crystal_colour            Yellow_green
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1880
_exptl_crystal_size_max          0.300000
_exptl_crystal_size_mid          0.250000
_exptl_crystal_size_min          0.180000
_refine_diff_density_max         0.588
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         9355
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0349P)²+4.3069P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                7519
_reflns_number_total             9355
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035470jsi20040116_112529.cif
_cod_data_source_block           14
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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_database_code               4311388
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'
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
Pr1 Pr 0.795308(6) 0.746040(5) 0.030521(5) 0.02978(2) Uani 1 1 d . . .
O1W O 0.93936(9) 0.71658(10) -0.04212(8) 0.0542(4) Uani 1 1 d . . .
O2W O 0.74598(10) 0.66651(8) -0.08477(8) 0.0511(4) Uani 1 1 d . . .
O3W O 0.64834(9) 0.82654(7) 0.01652(9) 0.0518(4) Uani 1 1 d . . .
N1 N 0.84516(11) 0.89899(9) 0.05792(10) 0.0447(4) Uani 1 1 d . . .
N2 N 0.81271(10) 0.84720(9) -0.09167(9) 0.0416(4) Uani 1 1 d . . .
C1 C 0.85894(15) 0.92627(13) 0.12899(14) 0.0603(7) Uani 1 1 d . . .
H1A H 0.8531 0.8904 0.1699 0.072 Uiso 1 1 calc R . .
C2 C 0.88190(17) 1.00659(15) 0.14591(17) 0.0801(8) Uani 1 1 d . . .
H2A H 0.8902 1.0234 0.1969 0.096 Uiso 1 1 calc R . .
C3 C 0.89176(17) 1.05952(14) 0.08673(18) 0.0810(9) Uani 1 1 d . . .
H3A H 0.9071 1.1129 0.0971 0.097 Uiso 1 1 calc R . .
C4 C 0.87899(14) 1.03409(12) 0.01116(16) 0.0622(7) Uani 1 1 d . . .
C5 C 0.88855(17) 1.08688(13) -0.05373(19) 0.0812(9) Uani 1 1 d . . .
H5A H 0.9044 1.1406 -0.0452 0.097 Uiso 1 1 calc R . .
C6 C 0.87547(19) 1.06122(14) -0.12535(19) 0.0862(9) Uani 1 1 d . . .
H6A H 0.8831 1.0971 -0.1661 0.103 Uiso 1 1 calc R . .
C7 C 0.84990(15) 0.97989(13) -0.14208(15) 0.0636(7) Uani 1 1 d . . .
C8 C 0.83433(18) 0.95100(15) -0.21736(16) 0.0782(8) Uani 1 1 d . . .
H8A H 0.8417 0.9851 -0.2595 0.094 Uiso 1 1 calc R . .
C9 C 0.80867(18) 0.87359(16) -0.22860(14) 0.0714(8) Uani 1 1 d . . .
H9A H 0.7977 0.8540 -0.2784 0.086 Uiso 1 1 calc R . .
C10 C 0.79882(15) 0.82315(13) -0.16437(12) 0.0537(6) Uani 1 1 d . . .
H10A H 0.7816 0.7698 -0.1730 0.064 Uiso 1 1 calc R . .
C11 C 0.83878(12) 0.92533(11) -0.08000(12) 0.0451(5) Uani 1 1 d . . .
C12 C 0.85447(12) 0.95250(10) -0.00200(13) 0.0460(5) Uani 1 1 d . . .
N3 N 0.83689(10) 0.59318(8) 0.07266(9) 0.0380(4) Uani 1 1 d . . .
N4 N 0.65255(10) 0.64055(9) 0.06391(10) 0.0425(4) Uani 1 1 d . . .
C13 C 0.92519(13) 0.56801(12) 0.07611(12) 0.0461(5) Uani 1 1 d . . .
H13A H 0.9717 0.6040 0.0617 0.055 Uiso 1 1 calc R . .
C14 C 0.95277(15) 0.49128(12) 0.09983(13) 0.0538(6) Uani 1 1 d . . .
H14A H 1.0157 0.4768 0.1010 0.065 Uiso 1 1 calc R . .
C15 C 0.88596(16) 0.43821(12) 0.12116(13) 0.0562(6) Uani 1 1 d . . .
H15A H 0.9028 0.3868 0.1377 0.067 Uiso 1 1 calc R . .
C16 C 0.79123(15) 0.46086(11) 0.11827(12) 0.0478(5) Uani 1 1 d . . .
C17 C 0.71774(18) 0.40673(12) 0.13788(15) 0.0671(7) Uani 1 1 d . . .
H17A H 0.7327 0.3552 0.1552 0.081 Uiso 1 1 calc R . .
C18 C 0.62753(17) 0.42883(13) 0.13173(15) 0.0668(7) Uani 1 1 d . . .
H18A H 0.5808 0.3921 0.1440 0.080 Uiso 1 1 calc R . .
C19 C 0.60218(14) 0.50820(11) 0.10658(12) 0.0499(6) Uani 1 1 d . . .
C20 C 0.50864(15) 0.53313(14) 0.09867(15) 0.0651(7) Uani 1 1 d . . .
H20A H 0.4603 0.4980 0.1106 0.078 Uiso 1 1 calc R . .
C21 C 0.48908(15) 0.60864(14) 0.07355(16) 0.0667(8) Uani 1 1 d . . .
H21A H 0.4272 0.6254 0.0672 0.080 Uiso 1 1 calc R . .
C22 C 0.56241(14) 0.66097(13) 0.05723(15) 0.0583(7) Uani 1 1 d . . .
H22A H 0.5477 0.7129 0.0408 0.070 Uiso 1 1 calc R . .
C23 C 0.67207(13) 0.56410(10) 0.08798(10) 0.0376(5) Uani 1 1 d . . .
C24 C 0.76943(13) 0.53967(10) 0.09350(10) 0.0366(4) Uani 1 1 d . . .
N7 N 0.73721(14) 0.76671(13) 0.16913(11) 0.0696(6) Uani 1 1 d . . .
N8 N 0.63480(19) 0.71201(18) 0.26538(16) 0.1232(9) Uani 1 1 d . . .
N9 N 0.48429(16) 0.76410(16) 0.30224(14) 0.0879(8) Uani 1 1 d . . .
C37 C 0.68629(17) 0.74441(14) 0.21338(13) 0.0602(7) Uani 1 1 d . . .
C38 C 0.55363(17) 0.74256(14) 0.28161(12) 0.0632(7) Uani 1 1 d . . .
N10 N 0.93661(13) 0.74679(10) 0.12317(11) 0.0570(5) Uani 1 1 d . . .
N11 N 1.0566(2) 0.73084(17) 0.22400(16) 0.1179(10) Uani 1 1 d . . .
N12 N 1.0765(2) 0.8021(3) 0.34225(17) 0.1550(13) Uani 1 1 d . . .
C39 C 0.98974(17) 0.74245(12) 0.17211(13) 0.0556(6) Uani 1 1 d . . .
C40 C 1.06103(18) 0.77170(18) 0.28697(15) 0.0745(8) Uani 1 1 d . . .
N5 N 0.37320(12) 1.01830(11) -0.08244(12) 0.0590(5) Uani 1 1 d . . .
N6 N 0.39131(12) 1.04123(10) 0.07633(11) 0.0561(5) Uani 1 1 d . . .
C25 C 0.36665(18) 1.00483(18) -0.15821(16) 0.0818(9) Uani 1 1 d . . .
H25A H 0.3676 1.0492 -0.1910 0.098 Uiso 1 1 calc R . .
C26 C 0.3585(2) 0.9292(2) -0.19152(18) 0.0931(10) Uani 1 1 d . . .
H26A H 0.3541 0.9231 -0.2450 0.112 Uiso 1 1 calc R . .
C27 C 0.35725(18) 0.86493(17) -0.14457(17) 0.0792(8) Uani 1 1 d . . .
H27A H 0.3518 0.8136 -0.1658 0.095 Uiso 1 1 calc R . .
C28 C 0.36394(14) 0.87381(13) -0.06432(15) 0.0588(7) Uani 1 1 d . . .
C29 C 0.36160(17) 0.80753(13) -0.01180(18) 0.0764(9) Uani 1 1 d . . .
H29A H 0.3554 0.7555 -0.0312 0.092 Uiso 1 1 calc R . .
C30 C 0.36807(18) 0.81861(14) 0.06457(18) 0.0781(9) Uani 1 1 d . . .
H30A H 0.3656 0.7743 0.0974 0.094 Uiso 1 1 calc R . .
C31 C 0.37874(15) 0.89758(14) 0.09694(15) 0.0618(7) Uani 1 1 d . . .
C32 C 0.38642(19) 0.91000(19) 0.17618(17) 0.0879(10) Uani 1 1 d . . .
H32A H 0.3850 0.8664 0.2099 0.105 Uiso 1 1 calc R . .
C33 C 0.3960(2) 0.9857(2) 0.20428(18) 0.0962(11) Uani 1 1 d . . .
H33A H 0.4001 0.9951 0.2573 0.115 Uiso 1 1 calc R . .
C34 C 0.39947(17) 1.04966(18) 0.15153(17) 0.0788(8) Uani 1 1 d . . .
H34A H 0.4081 1.1014 0.1711 0.095 Uiso 1 1 calc R . .
C35 C 0.38146(12) 0.96497(11) 0.04805(13) 0.0479(6) Uani 1 1 d . . .
C36 C 0.37259(12) 0.95292(11) -0.03491(13) 0.0467(5) Uani 1 1 d . . .
N13 N 0.12447(14) 0.71598(13) 0.00092(16) 0.0825(8) Uani 1 1 d . . .
N14 N 0.24099(14) 0.63610(12) 0.07182(14) 0.0762(7) Uani 1 1 d . . .
N15 N 0.2246(2) 0.49416(13) 0.10196(15) 0.1011(9) Uani 1 1 d . . .
C41 C 0.22826(17) 0.56028(14) 0.08612(14) 0.0629(7) Uani 1 1 d . . .
C42 C 0.17611(15) 0.67636(13) 0.03456(15) 0.0596(7) Uani 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'
Pr Pr -0.2180 2.8214 '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
O1W Pr1 O2W 73.36(5) . . ?
O1W Pr1 O3W 139.52(5) . . ?
O2W Pr1 O3W 88.96(5) . . ?
O1W Pr1 N10 70.45(6) . . ?
O2W Pr1 N10 135.69(5) . . ?
O3W Pr1 N10 135.35(5) . . ?
O1W Pr1 N7 141.56(6) . . ?
O2W Pr1 N7 136.65(6) . . ?
O3W Pr1 N7 74.55(6) . . ?
N10 Pr1 N7 71.33(7) . . ?
O1W Pr1 N1 93.24(5) . . ?
O2W Pr1 N1 135.83(5) . . ?
O3W Pr1 N1 74.30(5) . . ?
N10 Pr1 N1 71.34(5) . . ?
N7 Pr1 N1 78.35(6) . . ?
O1W Pr1 N3 76.77(5) . . ?
O2W Pr1 N3 76.97(5) . . ?
O3W Pr1 N3 135.14(4) . . ?
N10 Pr1 N3 70.64(5) . . ?
N7 Pr1 N3 86.98(6) . . ?
N1 Pr1 N3 141.87(5) . . ?
O1W Pr1 N2 68.81(5) . . ?
O2W Pr1 N2 74.50(5) . . ?
O3W Pr1 N2 71.48(5) . . ?
N10 Pr1 N2 113.74(5) . . ?
N7 Pr1 N2 132.70(6) . . ?
N1 Pr1 N2 61.49(5) . . ?
N3 Pr1 N2 140.16(5) . . ?
O1W Pr1 N4 127.20(5) . . ?
O2W Pr1 N4 68.32(5) . . ?
O3W Pr1 N4 74.75(5) . . ?
N10 Pr1 N4 116.77(6) . . ?
N7 Pr1 N4 68.72(6) . . ?
N1 Pr1 N4 139.53(5) . . ?
N3 Pr1 N4 60.43(5) . . ?
N2 Pr1 N4 129.43(5) . . ?
C1 N1 C12 117.72(17) . . ?
C1 N1 Pr1 121.63(14) . . ?
C12 N1 Pr1 120.63(12) . . ?
C10 N2 C11 117.44(17) . . ?
C10 N2 Pr1 122.38(13) . . ?
C11 N2 Pr1 120.16(13) . . ?
N1 C1 C2 123.4(2) . . ?
C3 C2 C1 119.0(2) . . ?
C2 C3 C4 120.1(2) . . ?
C3 C4 C12 118.2(2) . . ?
C3 C4 C5 122.7(2) . . ?
C12 C4 C5 119.1(2) . . ?
C6 C5 C4 121.6(2) . . ?
C5 C6 C7 121.8(2) . . ?
C8 C7 C11 117.8(2) . . ?
C8 C7 C6 123.2(2) . . ?
C11 C7 C6 118.9(2) . . ?
C9 C8 C7 119.9(2) . . ?
C8 C9 C10 119.1(2) . . ?
N2 C10 C9 123.7(2) . . ?
N2 C11 C7 122.1(2) . . ?
N2 C11 C12 118.37(17) . . ?
C7 C11 C12 119.57(18) . . ?
N1 C12 C4 121.7(2) . . ?
N1 C12 C11 119.34(16) . . ?
C4 C12 C11 119.0(2) . . ?
C13 N3 C24 117.23(15) . . ?
C13 N3 Pr1 120.72(12) . . ?
C24 N3 Pr1 122.02(11) . . ?
C22 N4 C23 117.04(16) . . ?
C22 N4 Pr1 122.44(12) . . ?
C23 N4 Pr1 120.52(11) . . ?
N3 C13 C14 124.31(18) . . ?
C15 C14 C13 118.59(19) . . ?
C14 C15 C16 119.92(19) . . ?
C15 C16 C24 117.81(18) . . ?
C15 C16 C17 122.34(18) . . ?
C24 C16 C17 119.83(19) . . ?
C18 C17 C16 121.2(2) . . ?
C17 C18 C19 120.8(2) . . ?
C20 C19 C23 117.52(18) . . ?
C20 C19 C18 122.41(19) . . ?
C23 C19 C18 120.07(19) . . ?
C21 C20 C19 119.7(2) . . ?
C20 C21 C22 119.4(2) . . ?
N4 C22 C21 123.5(2) . . ?
N4 C23 C19 122.90(17) . . ?
N4 C23 C24 118.10(15) . . ?
C19 C23 C24 119.00(16) . . ?
N3 C24 C16 122.14(17) . . ?
N3 C24 C23 118.79(15) . . ?
C16 C24 C23 119.05(16) . . ?
C37 N7 Pr1 144.21(19) . . ?
C37 N8 C38 120.7(3) . . ?
N7 C37 N8 173.3(3) . . ?
N9 C38 N8 172.8(3) . . ?
C39 N10 Pr1 169.38(19) . . ?
C40 N11 C39 121.7(3) . . ?
N10 C39 N11 173.1(3) . . ?
N12 C40 N11 170.4(3) . . ?
C25 N5 C36 117.3(2) . . ?
C34 N6 C35 117.5(2) . . ?
N5 C25 C26 124.4(3) . . ?
C27 C26 C25 118.1(3) . . ?
C26 C27 C28 121.1(3) . . ?
C27 C28 C36 117.4(2) . . ?
C27 C28 C29 123.3(2) . . ?
C36 C28 C29 119.4(2) . . ?
C30 C29 C28 121.4(2) . . ?
C29 C30 C31 121.2(2) . . ?
C32 C31 C35 118.3(2) . . ?
C32 C31 C30 121.8(2) . . ?
C35 C31 C30 119.9(2) . . ?
C33 C32 C31 119.9(3) . . ?
C32 C33 C34 118.3(3) . . ?
N6 C34 C33 124.1(3) . . ?
N6 C35 C31 121.9(2) . . ?
N6 C35 C36 119.26(18) . . ?
C31 C35 C36 118.84(19) . . ?
N5 C36 C28 121.7(2) . . ?
N5 C36 C35 119.02(18) . . ?
C28 C36 C35 119.29(19) . . ?
C41 N14 C42 119.5(2) . . ?
N15 C41 N14 173.9(3) . . ?
N13 C42 N14 174.7(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
Pr1 O1W 2.4780(15) . ?
Pr1 O2W 2.4808(14) . ?
Pr1 O3W 2.4948(14) . ?
Pr1 N10 2.5509(19) . ?
Pr1 N7 2.573(2) . ?
Pr1 N1 2.6760(16) . ?
Pr1 N3 2.7022(16) . ?
Pr1 N2 2.7130(16) . ?
Pr1 N4 2.7558(16) . ?
N1 C1 1.320(3) . ?
N1 C12 1.373(3) . ?
N2 C10 1.330(3) . ?
N2 C11 1.363(2) . ?
C1 C2 1.402(3) . ?
C2 C3 1.358(4) . ?
C3 C4 1.381(4) . ?
C4 C12 1.416(3) . ?
C4 C5 1.432(4) . ?
C5 C6 1.319(4) . ?
C6 C7 1.426(3) . ?
C7 C8 1.400(4) . ?
C7 C11 1.415(3) . ?
C8 C9 1.349(4) . ?
C9 C10 1.399(3) . ?
C11 C12 1.435(3) . ?
N3 C13 1.328(2) . ?
N3 C24 1.363(2) . ?
N4 C22 1.333(2) . ?
N4 C23 1.362(2) . ?
C13 C14 1.392(3) . ?
C14 C15 1.354(3) . ?
C15 C16 1.403(3) . ?
C16 C24 1.409(2) . ?
C16 C17 1.427(3) . ?
C17 C18 1.341(3) . ?
C18 C19 1.431(3) . ?
C19 C20 1.402(3) . ?
C19 C23 1.404(3) . ?
C20 C21 1.354(3) . ?
C21 C22 1.393(3) . ?
C23 C24 1.449(3) . ?
N7 C37 1.128(3) . ?
N8 C37 1.289(3) . ?
N8 C38 1.300(4) . ?
N9 C38 1.117(3) . ?
N10 C39 1.127(3) . ?
N11 C40 1.283(4) . ?
N11 C39 1.311(3) . ?
N12 C40 1.099(4) . ?
N5 C25 1.330(3) . ?
N5 C36 1.361(3) . ?
N6 C34 1.310(3) . ?
N6 C35 1.363(3) . ?
C25 C26 1.386(4) . ?
C26 C27 1.340(4) . ?
C27 C28 1.396(4) . ?
C28 C36 1.412(3) . ?
C28 C29 1.427(3) . ?
C29 C30 1.334(4) . ?
C30 C31 1.432(3) . ?
C31 C32 1.387(4) . ?
C31 C35 1.403(3) . ?
C32 C33 1.353(5) . ?
C33 C34 1.401(4) . ?
C35 C36 1.451(3) . ?
N13 C42 1.139(3) . ?
N14 C41 1.296(3) . ?
N14 C42 1.302(3) . ?
N15 C41 1.132(3) . ?
