#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:24:55 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180392 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/61/7206191.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_7206191
loop_
_publ_author_name
'Wang, Yu-Ling'
'Jiang, Yun-Liang'
'Liu, Qing-Yan'
'Tan, Yan-Xi'
'Wei, Jia-Jia'
'Zhang, Jian'
_publ_section_title
;
 A series of three-dimensional lanthanide(iii) coordination polymers of
 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear
 lanthanide units
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              4981
_journal_paper_doi               10.1039/c1ce05069a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C42 H54 Gd2 N6 O24'
_chemical_formula_weight         1341.41
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.8260(10)
_cell_angle_beta                 110.0240(10)
_cell_angle_gamma                96.6020(10)
_cell_formula_units_Z            1
_cell_length_a                   10.5226(9)
_cell_length_b                   11.0545(9)
_cell_length_c                   12.7711(11)
_cell_measurement_reflns_used    5340
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.79
_cell_measurement_theta_min      2.54
_cell_volume                     1323.41(19)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'APEXII 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  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12457
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    2.570
_exptl_absorpt_correction_T_max  0.528
_exptl_absorpt_correction_T_min  0.361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker 2008)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.297
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6361
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0348
_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)+(0.0570P)²+0.3859P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0923
_reflns_number_gt                5454
_reflns_number_total             6361
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05069a.txt
_cod_data_source_block           {[Gd2(DHBDC)3(DMF)4](DMF)2}n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7206191
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Gd1 Gd 0.103040(18) 0.547825(17) 0.681682(17) 0.02487(7) Uani 1 1 d . . .
O1 O -0.0166(3) 0.3337(3) 0.5876(3) 0.0371(7) Uani 1 1 d . . .
O2 O -0.0731(3) 0.2745(3) 0.3943(3) 0.0393(7) Uani 1 1 d . . .
O3 O -0.0450(6) 0.0528(4) 0.2917(3) 0.0713(14) Uani 1 1 d . . .
H3 H -0.0569 0.1257 0.2968 0.107 Uiso 1 1 calc R . .
O4 O 0.1590(3) 0.4937(3) 0.5176(3) 0.0378(7) Uani 1 1 d . . .
O5 O 0.1256(3) 0.4300(3) 0.3317(3) 0.0423(8) Uani 1 1 d . . .
O6 O 0.3298(4) 0.3985(5) 0.2670(3) 0.0648(12) Uani 1 1 d . . .
H6A H 0.2483 0.3954 0.2578 0.097 Uiso 1 1 calc R . .
O7 O 0.1755(3) 0.7544(3) 0.8484(3) 0.0422(8) Uani 1 1 d . . .
O8 O 0.3293(3) 0.6899(4) 0.7807(3) 0.0540(10) Uani 1 1 d . . .
O9 O 0.2351(4) 0.9852(4) 0.9964(4) 0.0740(13) Uani 1 1 d . . .
H9A H 0.1840 0.9165 0.9533 0.111 Uiso 1 1 calc R . .
O10 O 0.2730(4) 0.4227(5) 0.7426(4) 0.0702(12) Uani 1 1 d . . .
O11 O 0.0708(4) 0.4786(4) 0.8374(3) 0.0525(9) Uani 1 1 d . . .
O12 O 0.3843(12) 0.7714(10) 0.3604(9) 0.178(4) Uani 1 1 d . . .
C1 C -0.0235(5) 0.0299(4) 0.3948(4) 0.0406(10) Uani 1 1 d . . .
C2 C -0.0218(4) 0.1212(4) 0.4934(4) 0.0333(9) Uani 1 1 d . . .
C3 C 0.0013(6) 0.0884(4) 0.5958(4) 0.0430(11) Uani 1 1 d . . .
H3A H 0.0018 0.1487 0.6607 0.052 Uiso 1 1 calc R . .
C4 C -0.0386(4) 0.2536(4) 0.4928(4) 0.0334(9) Uani 1 1 d . . .
C5 C 0.4110(4) 0.4492(5) 0.3825(4) 0.0371(10) Uani 1 1 d . . .
C6 C 0.3573(4) 0.4846(4) 0.4693(4) 0.0328(9) Uani 1 1 d . . .
C7 C 0.4475(5) 0.5352(5) 0.5851(4) 0.0394(10) Uani 1 1 d . . .
H7 H 0.4118 0.5593 0.6424 0.047 Uiso 1 1 calc R . .
C8 C 0.2063(4) 0.4687(4) 0.4389(4) 0.0323(9) Uani 1 1 d . . .
C9 C 0.3641(4) 0.9884(5) 0.9951(4) 0.0376(10) Uani 1 1 d . . .
C10 C 0.4001(4) 0.8909(4) 0.9264(4) 0.0352(9) Uani 1 1 d . . .
C11 C 0.5355(5) 0.9028(5) 0.9319(4) 0.0410(10) Uani 1 1 d . . .
H11 H 0.5590 0.8372 0.8862 0.049 Uiso 1 1 calc R . .
C12 C 0.2953(5) 0.7716(4) 0.8467(4) 0.0374(10) Uani 1 1 d . . .
C13 C 0.3635(15) 0.4033(15) 0.7860(10) 0.178(7) Uani 1 1 d . . .
H13 H 0.4290 0.4771 0.8043 0.214 Uiso 1 1 calc R . .
C14 C 0.5801(12) 0.3665(13) 0.8965(12) 0.158(5) Uani 1 1 d . . .
H14A H 0.6105 0.4551 0.9056 0.237 Uiso 1 1 calc R . .
H14B H 0.6282 0.3164 0.8571 0.237 Uiso 1 1 calc R . .
H14C H 0.5993 0.3543 0.9719 0.237 Uiso 1 1 calc R . .
C15 C 0.3730(14) 0.1994(13) 0.8044(12) 0.177(6) Uani 1 1 d . . .
H15A H 0.2763 0.1835 0.7567 0.265 Uiso 1 1 calc R . .
H15B H 0.3838 0.1806 0.8762 0.265 Uiso 1 1 calc R . .
H15C H 0.4175 0.1461 0.7636 0.265 Uiso 1 1 calc R . .
C16 C -0.0178(7) 0.3859(6) 0.8260(5) 0.0558(14) Uani 1 1 d . . .
H16A H -0.1028 0.3671 0.7638 0.067 Uiso 1 1 calc R . .
C17 C -0.1084(11) 0.2089(9) 0.8763(9) 0.117(3) Uani 1 1 d . . .
H17A H -0.1898 0.2055 0.8108 0.175 Uiso 1 1 calc R . .
H17B H -0.1296 0.2209 0.9449 0.175 Uiso 1 1 calc R . .
H17C H -0.0776 0.1305 0.8613 0.175 Uiso 1 1 calc R . .
C18 C 0.1265(12) 0.3314(11) 0.9897(9) 0.158(6) Uani 1 1 d . . .
H18A H 0.1903 0.4045 0.9956 0.237 Uiso 1 1 calc R . .
H18B H 0.1650 0.2571 0.9774 0.237 Uiso 1 1 calc R . .
H18C H 0.1101 0.3446 1.0607 0.237 Uiso 1 1 calc R . .
C19 C 0.453(3) 0.8051(17) 0.4514(16) 0.37(3) Uani 1 1 d . . .
H19 H 0.5047 0.7432 0.4422 0.445 Uiso 1 1 d R . .
C20 C 0.483(4) 0.8772(19) 0.631(2) 0.40(3) Uani 1 1 d . . .
H20A H 0.3834 0.8598 0.6035 0.601 Uiso 1 1 calc R . .
H20B H 0.5191 0.9664 0.6717 0.601 Uiso 1 1 calc R . .
H20C H 0.5180 0.8283 0.6832 0.601 Uiso 1 1 calc R . .
C21 C 0.653(2) 0.8712(18) 0.586(3) 0.41(3) Uani 1 1 d . . .
H21A H 0.6825 0.8481 0.5223 0.612 Uiso 1 1 calc R . .
H21B H 0.6865 0.8227 0.6389 0.612 Uiso 1 1 calc R . .
H21C H 0.6883 0.9605 0.6265 0.612 Uiso 1 1 calc R . .
N1 N 0.4334(7) 0.3271(7) 0.8287(6) 0.0825(19) Uani 1 1 d . . .
N2 N -0.0009(6) 0.3135(5) 0.8940(5) 0.0654(14) Uani 1 1 d . . .
N3 N 0.5186(10) 0.8472(7) 0.5462(8) 0.103(2) 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'
Gd Gd -0.1653 3.9035 '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'
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
O4 Gd1 O1 76.84(11) . . ?
O4 Gd1 O2 76.19(11) . 2_566 ?
O1 Gd1 O2 127.28(11) . 2_566 ?
O4 Gd1 O5 122.28(11) . 2_566 ?
O1 Gd1 O5 80.38(12) . 2_566 ?
O2 Gd1 O5 77.16(12) 2_566 2_566 ?
O4 Gd1 O11 145.64(13) . . ?
O1 Gd1 O11 77.06(12) . . ?
O2 Gd1 O11 138.04(12) 2_566 . ?
O5 Gd1 O11 74.33(13) 2_566 . ?
O4 Gd1 O10 79.65(14) . . ?
O1 Gd1 O10 74.86(14) . . ?
O2 Gd1 O10 140.91(14) 2_566 . ?
O5 Gd1 O10 141.90(14) 2_566 . ?
O11 Gd1 O10 72.23(15) . . ?
O4 Gd1 O8 87.05(12) . . ?
O1 Gd1 O8 144.91(12) . . ?
O2 Gd1 O8 76.81(13) 2_566 . ?
O5 Gd1 O8 133.81(12) 2_566 . ?
O11 Gd1 O8 102.03(14) . . ?
O10 Gd1 O8 71.66(15) . . ?
O4 Gd1 O7 131.28(10) . . ?
O1 Gd1 O7 151.87(11) . . ?
O2 Gd1 O7 69.86(11) 2_566 . ?
O5 Gd1 O7 83.05(11) 2_566 . ?
O11 Gd1 O7 76.65(12) . . ?
O10 Gd1 O7 106.15(15) . . ?
O8 Gd1 O7 52.26(11) . . ?
O4 Gd1 C12 109.09(12) . . ?
O1 Gd1 C12 162.24(12) . . ?
O2 Gd1 C12 70.36(12) 2_566 . ?
O5 Gd1 C12 108.48(13) 2_566 . ?
O11 Gd1 C12 90.31(13) . . ?
O10 Gd1 C12 89.51(16) . . ?
O8 Gd1 C12 25.98(13) . . ?
O7 Gd1 C12 26.33(12) . . ?
O4 Gd1 O4 75.05(10) . 2_566 ?
O1 Gd1 O4 64.36(10) . 2_566 ?
O2 Gd1 O4 65.31(10) 2_566 2_566 ?
O5 Gd1 O4 47.31(10) 2_566 2_566 ?
O11 Gd1 O4 112.46(11) . 2_566 ?
O10 Gd1 O4 135.68(14) . 2_566 ?
O8 Gd1 O4 140.84(12) . 2_566 ?
O7 Gd1 O4 117.93(10) . 2_566 ?
C12 Gd1 O4 132.98(11) . 2_566 ?
C4 O1 Gd1 135.6(3) . . ?
C4 O2 Gd1 138.1(3) . 2_566 ?
C1 O3 H3 109.5 . . ?
C8 O4 Gd1 172.1(3) . . ?
C8 O4 Gd1 82.9(2) . 2_566 ?
Gd1 O4 Gd1 104.95(10) . 2_566 ?
C8 O5 Gd1 108.4(3) . 2_566 ?
C5 O6 H6A 109.5 . . ?
C12 O7 Gd1 90.0(3) . . ?
C12 O8 Gd1 96.2(3) . . ?
C9 O9 H9A 109.5 . . ?
C13 O10 Gd1 158.8(11) . . ?
C16 O11 Gd1 126.1(3) . . ?
O3 C1 C3 118.5(4) . 2_556 ?
O3 C1 C2 123.0(4) . . ?
C3 C1 C2 118.5(4) 2_556 . ?
C3 C2 C1 118.7(4) . . ?
C3 C2 C4 119.1(4) . . ?
C1 C2 C4 122.2(4) . . ?
C1 C3 C2 122.8(4) 2_556 . ?
C1 C3 H3A 118.6 2_556 . ?
C2 C3 H3A 118.6 . . ?
O1 C4 O2 125.7(4) . . ?
O1 C4 C2 118.1(4) . . ?
O2 C4 C2 116.2(4) . . ?
O6 C5 C7 117.8(4) . 2_666 ?
O6 C5 C6 123.1(4) . . ?
C7 C5 C6 119.1(4) 2_666 . ?
C7 C6 C5 119.3(4) . . ?
C7 C6 C8 119.7(4) . . ?
C5 C6 C8 121.0(4) . . ?
C5 C7 C6 121.6(4) 2_666 . ?
C5 C7 H7 119.2 2_666 . ?
C6 C7 H7 119.2 . . ?
O4 C8 O5 120.8(4) . . ?
O4 C8 C6 120.5(4) . . ?
O5 C8 C6 118.7(4) . . ?
O9 C9 C11 116.4(4) . 2_677 ?
O9 C9 C10 124.4(4) . . ?
C11 C9 C10 119.3(4) 2_677 . ?
C11 C10 C9 120.1(4) . . ?
C11 C10 C12 118.8(4) . . ?
C9 C10 C12 121.1(4) . . ?
C9 C11 C10 120.7(4) 2_677 . ?
C9 C11 H11 119.7 2_677 . ?
C10 C11 H11 119.7 . . ?
O8 C12 O7 121.3(4) . . ?
O8 C12 C10 119.2(4) . . ?
O7 C12 C10 119.5(4) . . ?
O8 C12 Gd1 57.8(2) . . ?
O7 C12 Gd1 63.6(2) . . ?
C10 C12 Gd1 175.6(3) . . ?
O10 C13 N1 150.6(18) . . ?
O10 C13 H13 104.7 . . ?
N1 C13 H13 104.7 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 H15A 109.5 . . ?
N1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O11 C16 N2 125.2(6) . . ?
O11 C16 H16A 117.4 . . ?
N2 C16 H16A 117.4 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O12 C19 N3 174(3) . . ?
O12 C19 H19 92.9 . . ?
N3 C19 H19 92.7 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 N1 C15 121.5(12) . . ?
C13 N1 C14 121.6(11) . . ?
C15 N1 C14 116.8(9) . . ?
C16 N2 C18 122.0(6) . . ?
C16 N2 C17 122.1(7) . . ?
C18 N2 C17 115.8(7) . . ?
C19 N3 C20 129(3) . . ?
C19 N3 C21 122(3) . . ?
C20 N3 C21 108(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
Gd1 O4 2.328(3) . ?
Gd1 O1 2.356(3) . ?
Gd1 O2 2.397(3) 2_566 ?
Gd1 O5 2.399(3) 2_566 ?
Gd1 O11 2.405(3) . ?
Gd1 O10 2.418(4) . ?
Gd1 O8 2.421(3) . ?
Gd1 O7 2.548(3) . ?
Gd1 O4 2.939(3) 2_566 ?
O1 C4 1.245(5) . ?
O2 C4 1.270(5) . ?
O2 Gd1 2.397(3) 2_566 ?
O3 C1 1.349(6) . ?
O3 H3 0.8200 . ?
O4 C8 1.255(5) . ?
O4 Gd1 2.939(3) 2_566 ?
O5 C8 1.273(5) . ?
O5 Gd1 2.399(3) 2_566 ?
O6 C5 1.361(5) . ?
O6 H6A 0.8200 . ?
O7 C12 1.262(6) . ?
O8 C12 1.253(6) . ?
O9 C9 1.360(6) . ?
O9 H9A 0.8200 . ?
O10 C13 1.001(10) . ?
O11 C16 1.248(7) . ?
O12 C19 1.081(17) . ?
C1 C3 1.380(6) 2_556 ?
C1 C2 1.406(6) . ?
C2 C3 1.389(6) . ?
C2 C4 1.496(6) . ?
C3 C1 1.380(6) 2_556 ?
C3 H3A 0.9300 . ?
C5 C7 1.379(6) 2_666 ?
C5 C6 1.405(6) . ?
C6 C7 1.387(6) . ?
C6 C8 1.478(5) . ?
C7 C5 1.379(6) 2_666 ?
C7 H7 0.9300 . ?
C9 C11 1.389(6) 2_677 ?
C9 C10 1.395(7) . ?
C10 C11 1.392(6) . ?
C10 C12 1.499(6) . ?
C11 C9 1.389(6) 2_677 ?
C11 H11 0.9300 . ?
C13 N1 1.278(9) . ?
C13 H13 0.9300 . ?
C14 N1 1.439(12) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 N1 1.394(13) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 N2 1.299(7) . ?
C16 H16A 0.9300 . ?
C17 N2 1.438(9) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N2 1.426(10) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 N3 1.115(17) . ?
C19 H19 0.9299 . ?
C20 N3 1.251(16) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 N3 1.295(19) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
