#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:04:12 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179650 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/03/4510343.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_4510343
loop_
_publ_author_name
'Lu, Ying-Bing'
'Jian, Fang-Mei'
'Jin, Shuang'
'Zhao, Jun-Wei'
'Xie, Yong-Rong'
'Luo, Guo-Tian'
_publ_section_title
;
 Three-Dimensional Extended Frameworks Constructed from Dinuclear
 Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with
 Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and
 Magnetic and Luminescent Properties
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1684
_journal_paper_doi               10.1021/cg401825f
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         '[C6H7N4][Gd(C12H6O4)2](H2O)'
_chemical_formula_sum            'C30 H21 Gd N4 O9'
_chemical_formula_weight         738.76
_chemical_melting_point          ?
_chemical_name_common            '[C6H7N4][Gd(C12H6O4)2](H2O)'
_chemical_name_systematic        '[C6H7N4][Gd(C12H6O4)2](H2O)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 104.7950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.7508(4)
_cell_length_b                   15.7702(4)
_cell_length_c                   15.3590(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2751.85(15)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 'Rigaku Mercury CCD'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21612
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.83
_diffrn_standards_number         \w
_exptl_absorpt_coefficient_mu    2.475
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blcok
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.167
_refine_diff_density_min         -2.050
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       0.0038(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         6303
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1215
_refine_ls_wR_factor_ref         0.1280
_reflns_number_gt                5812
_reflns_number_total             6303
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401825f_si_002.cif
_cod_data_source_block           14
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not
given.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4510343
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Gd1 Gd 0.690331(11) 0.016194(9) 0.037162(8) 0.02127(5) Uani 1 1 d .
O1W O 0.8334(3) 0.02757(17) -0.05449(19) 0.0456(6) Uani 1 1 d D
H1WA H 0.8846(13) 0.0094(15) -0.0792(19) 0.068 Uiso 1 1 d D
H1WB H 0.797(2) 0.0657(14) -0.083(2) 0.068 Uiso 1 1 d D
O8 O 1.1970(2) -0.34839(15) 0.42258(14) 0.0415(6) Uani 1 1 d .
O6 O 0.9532(2) -0.12444(17) 0.00035(16) 0.0465(6) Uani 1 1 d .
O1 O 0.5886(2) 0.1015(2) -0.08212(18) 0.0570(8) Uani 1 1 d .
O2 O 0.3957(2) 0.08192(19) -0.11504(17) 0.0535(7) Uani 1 1 d .
O7 O 1.1891(3) -0.44159(17) 0.31522(16) 0.0600(8) Uani 1 1 d .
O5 O 0.8347(2) -0.0897(2) 0.08643(18) 0.0646(8) Uani 1 1 d .
O4 O 0.3703(3) 0.4162(2) -0.4226(2) 0.0722(9) Uani 1 1 d .
O3 O 0.5598(3) 0.4025(2) -0.4054(2) 0.0758(9) Uani 1 1 d .
C6 C 0.5379(3) 0.2076(2) -0.4235(2) 0.0413(8) Uani 1 1 d .
H6A H 0.5407 0.2501 -0.4649 0.050 Uiso 1 1 calc R
C3 C 0.4282(3) 0.3247(2) -0.25021(19) 0.0306(7) Uani 1 1 d .
H3A H 0.3992 0.3780 -0.2412 0.037 Uiso 1 1 calc R
C11 C 0.4850(3) 0.1151(2) -0.12596(19) 0.0327(7) Uani 1 1 d .
C10 C 0.5069(3) 0.16239(19) -0.27895(18) 0.0289(6) Uani 1 1 d .
C4 C 0.4671(2) 0.31006(19) -0.32529(18) 0.0278(6) Uani 1 1 d .
C22 C 0.9289(3) -0.2755(2) 0.1428(2) 0.0381(8) Uani 1 1 d .
C5 C 0.5051(2) 0.22792(19) -0.34307(17) 0.0270(6) Uani 1 1 d .
C16 C 1.0924(3) -0.3097(2) 0.2731(2) 0.0392(8) Uani 1 1 d .
C17 C 0.9889(3) -0.3356(2) 0.2081(2) 0.0388(8) Uani 1 1 d .
C1 C 0.4726(2) 0.18178(19) -0.19855(17) 0.0266(6) Uani 1 1 d .
C12 C 0.4657(3) 0.3814(2) -0.3902(2) 0.0391(8) Uani 1 1 d .
C13 C 0.9763(3) -0.1939(2) 0.1423(2) 0.0371(8) Uani 1 1 d .
C2 C 0.4313(3) 0.2601(2) -0.18608(18) 0.0305(7) Uani 1 1 d .
H2A H 0.4050 0.2712 -0.1350 0.037 Uiso 1 1 calc R
C23 C 0.9162(3) -0.1309(2) 0.0712(2) 0.0397(8) Uani 1 1 d .
C7 C 0.5654(4) 0.1260(3) -0.4405(2) 0.0534(10) Uani 1 1 d .
H7A H 0.5834 0.1130 -0.4945 0.064 Uiso 1 1 calc R
C14 C 1.0771(3) -0.1696(2) 0.2063(2) 0.0448(9) Uani 1 1 d .
H14A H 1.1064 -0.1150 0.2054 0.054 Uiso 1 1 calc R
C15 C 1.1348(3) -0.2271(2) 0.2721(2) 0.0445(9) Uani 1 1 d .
H15A H 1.2017 -0.2102 0.3155 0.053 Uiso 1 1 calc R
C9 C 0.5395(3) 0.0792(2) -0.2976(2) 0.0419(8) Uani 1 1 d .
H9A H 0.5423 0.0363 -0.2555 0.050 Uiso 1 1 calc R
C19 C 0.8424(4) -0.4411(3) 0.1424(4) 0.0673(13) Uani 1 1 d .
H19A H 0.8137 -0.4961 0.1419 0.081 Uiso 1 1 calc R
C18 C 0.9419(4) -0.4184(3) 0.2057(3) 0.0546(11) Uani 1 1 d .
H18A H 0.9796 -0.4580 0.2482 0.066 Uiso 1 1 calc R
C21 C 0.8236(3) -0.3010(3) 0.0787(2) 0.0465(9) Uani 1 1 d .
H21A H 0.7825 -0.2618 0.0371 0.056 Uiso 1 1 calc R
C8 C 0.5667(4) 0.0613(3) -0.3768(3) 0.0507(10) Uani 1 1 d .
H8A H 0.5863 0.0062 -0.3889 0.061 Uiso 1 1 calc R
C20 C 0.7823(4) -0.3820(3) 0.0775(3) 0.0586(12) Uani 1 1 d .
H20A H 0.7151 -0.3983 0.0341 0.070 Uiso 1 1 calc R
C27 C 1.0121(3) 0.1489(2) 0.5637(2) 0.0373(7) Uani 1 1 d .
C28 C 0.9047(3) 0.1461(2) 0.4925(2) 0.0376(7) Uani 1 1 d .
C30 C 0.7645(3) 0.1096(3) 0.3780(3) 0.0556(11) Uani 1 1 d .
H30A H 0.7196 0.0780 0.3304 0.067 Uiso 1 1 calc R
C29 C 0.7379(3) 0.1876(3) 0.4023(2) 0.0509(10) Uani 1 1 d .
H29A H 0.6721 0.2197 0.3750 0.061 Uiso 1 1 calc R
C26 C 1.1666(4) 0.1150(3) 0.6715(3) 0.0587(12) Uani 1 1 d .
H26A H 1.2229 0.0833 0.7120 0.070 Uiso 1 1 calc R
C25 C 1.1612(4) 0.2012(3) 0.6652(3) 0.0607(12) Uani 1 1 d .
H25A H 1.2140 0.2392 0.7004 0.073 Uiso 1 1 calc R
C24 C 1.1628(3) -0.3700(2) 0.3406(2) 0.0412(8) Uani 1 1 d .
N2 N 0.8279(3) 0.2106(2) 0.47591(19) 0.0430(8) Uani 1 1 d .
N1 N 1.0645(3) 0.2217(2) 0.59795(19) 0.0448(7) Uani 1 1 d .
H1A H 1.0413 0.2721 0.5806 0.054 Uiso 1 1 calc R
N4 N 1.0722(3) 0.0838(2) 0.6060(2) 0.0480(8) Uani 1 1 d .
H4A H 1.0556 0.0311 0.5947 0.058 Uiso 1 1 calc R
N3 N 0.8693(3) 0.0845(2) 0.4353(2) 0.0466(8) Uani 1 1 d .
H3B H 0.9048 0.0371 0.4338 0.056 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'
Gd Gd -0.1653 3.9035 '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
O4 Gd1 O3 123.49(12) 2_644 4_566
O4 Gd1 O2 81.38(11) 2_644 3_655
O3 Gd1 O2 76.04(12) 4_566 3_655
O4 Gd1 O1 78.57(12) 2_644 .
O3 Gd1 O1 74.14(12) 4_566 .
O2 Gd1 O1 125.42(10) 3_655 .
O4 Gd1 O5 79.61(12) 2_644 .
O3 Gd1 O5 138.88(11) 4_566 .
O2 Gd1 O5 74.77(10) 3_655 .
O1 Gd1 O5 146.98(10) . .
O4 Gd1 O7 151.38(11) 2_644 2_755
O3 Gd1 O7 77.36(11) 4_566 2_755
O2 Gd1 O7 85.97(9) 3_655 2_755
O1 Gd1 O7 129.06(10) . 2_755
O5 Gd1 O7 72.31(10) . 2_755
O4 Gd1 O1W 74.88(11) 2_644 .
O3 Gd1 O1W 141.82(10) 4_566 .
O2 Gd1 O1W 142.13(10) 3_655 .
O1 Gd1 O1W 78.30(10) . .
O5 Gd1 O1W 72.25(9) . .
O7 Gd1 O1W 101.09(10) 2_755 .
O4 Gd1 O8 143.32(10) 2_644 2_755
O3 Gd1 O8 78.20(10) 4_566 2_755
O2 Gd1 O8 135.08(9) 3_655 2_755
O1 Gd1 O8 80.52(9) . 2_755
O5 Gd1 O8 103.46(10) . 2_755
O7 Gd1 O8 52.63(8) 2_755 2_755
O1W Gd1 O8 71.57(9) . 2_755
O4 Gd1 C24 160.36(12) 2_644 2_755
O3 Gd1 C24 75.54(11) 4_566 2_755
O2 Gd1 C24 110.43(10) 3_655 2_755
O1 Gd1 C24 104.89(11) . 2_755
O5 Gd1 C24 88.27(11) . 2_755
O7 Gd1 C24 26.18(9) 2_755 2_755
O1W Gd1 C24 86.77(10) . 2_755
O8 Gd1 C24 26.48(9) 2_755 2_755
O4 Gd1 H1WB 77.1(7) 2_644 .
O3 Gd1 H1WB 125.8(4) 4_566 .
O2 Gd1 H1WB 155.7(6) 3_655 .
O1 Gd1 H1WB 61.0(4) . .
O5 Gd1 H1WB 90.1(3) . .
O7 Gd1 H1WB 107.8(7) 2_755 .
O1W Gd1 H1WB 17.8(3) . .
O8 Gd1 H1WB 66.4(7) 2_755 .
C24 Gd1 H1WB 87.6(7) 2_755 .
Gd1 O1W H1WA 155.1(19) . .
Gd1 O1W H1WB 92(2) . .
H1WA O1W H1WB 110(2) . .
C24 O8 Gd1 91.7(2) . 2_745
C11 O1 Gd1 138.8(2) . .
C11 O2 Gd1 148.5(2) . 3_655
C24 O7 Gd1 95.03(19) . 2_745
C23 O5 Gd1 147.5(2) . .
C12 O4 Gd1 132.5(3) . 2_654
C12 O3 Gd1 157.9(3) . 4_565
C7 C6 C5 120.5(3) . .
C7 C6 H6A 119.7 . .
C5 C6 H6A 119.7 . .
C4 C3 C2 120.8(3) . .
C4 C3 H3A 119.6 . .
C2 C3 H3A 119.6 . .
O2 C11 O1 127.2(3) . .
O2 C11 C1 118.3(3) . .
O1 C11 C1 114.4(3) . .
C9 C10 C1 121.6(3) . .
C9 C10 C5 119.3(3) . .
C1 C10 C5 119.1(3) . .
C3 C4 C5 120.5(3) . .
C3 C4 C12 119.1(3) . .
C5 C4 C12 120.4(3) . .
C21 C22 C13 122.0(3) . .
C21 C22 C17 118.9(3) . .
C13 C22 C17 119.1(3) . .
C4 C5 C6 122.8(3) . .
C4 C5 C10 118.6(3) . .
C6 C5 C10 118.5(3) . .
C15 C16 C17 120.3(3) . .
C15 C16 C24 117.8(3) . .
C17 C16 C24 121.8(3) . .
C18 C17 C22 118.3(3) . .
C18 C17 C16 122.8(3) . .
C22 C17 C16 118.9(3) . .
C2 C1 C10 120.5(3) . .
C2 C1 C11 120.0(3) . .
C10 C1 C11 119.6(3) . .
O4 C12 O3 124.8(3) . .
O4 C12 C4 117.1(3) . .
O3 C12 C4 118.1(3) . .
C14 C13 C22 121.2(3) . .
C14 C13 C23 119.2(3) . .
C22 C13 C23 119.6(3) . .
C1 C2 C3 120.4(3) . .
C1 C2 H2A 119.8 . .
C3 C2 H2A 119.8 . .
O5 C23 O6 125.0(3) . .
O5 C23 C13 116.9(3) . .
O6 C23 C13 118.1(3) . .
C6 C7 C8 120.6(3) . .
C6 C7 H7A 119.7 . .
C8 C7 H7A 119.7 . .
C13 C14 C15 120.2(3) . .
C13 C14 H14A 119.9 . .
C15 C14 H14A 119.9 . .
C16 C15 C14 120.3(3) . .
C16 C15 H15A 119.9 . .
C14 C15 H15A 119.9 . .
C8 C9 C10 120.6(3) . .
C8 C9 H9A 119.7 . .
C10 C9 H9A 119.7 . .
C20 C19 C18 120.8(4) . .
C20 C19 H19A 119.6 . .
C18 C19 H19A 119.6 . .
C17 C18 C19 121.3(4) . .
C17 C18 H18A 119.4 . .
C19 C18 H18A 119.4 . .
C22 C21 C20 121.0(4) . .
C22 C21 H21A 119.5 . .
C20 C21 H21A 119.5 . .
C9 C8 C7 120.4(4) . .
C9 C8 H8A 119.8 . .
C7 C8 H8A 119.8 . .
C19 C20 C21 119.7(4) . .
C19 C20 H20A 120.1 . .
C21 C20 H20A 120.1 . .
N4 C27 N1 109.8(3) . .
N4 C27 C28 127.1(3) . .
N1 C27 C28 123.2(3) . .
N3 C28 N2 110.7(3) . .
N3 C28 C27 126.8(3) . .
N2 C28 C27 122.4(3) . .
C29 C30 N3 108.6(4) . .
C29 C30 H30A 125.7 . .
N3 C30 H30A 125.7 . .
C30 C29 N2 106.4(3) . .
C30 C29 H29A 126.8 . .
N2 C29 H29A 126.8 . .
C25 C26 N4 106.8(4) . .
C25 C26 H26A 126.6 . .
N4 C26 H26A 126.6 . .
C26 C25 N1 107.7(4) . .
C26 C25 H25A 126.1 . .
N1 C25 H25A 126.1 . .
O7 C24 O8 120.5(3) . .
O7 C24 C16 119.6(3) . .
O8 C24 C16 119.9(3) . .
O7 C24 Gd1 58.79(17) . 2_745
O8 C24 Gd1 61.81(17) . 2_745
C16 C24 Gd1 176.0(3) . 2_745
C28 N2 C29 107.1(3) . .
C27 N1 C25 107.7(3) . .
C27 N1 H1A 126.2 . .
C25 N1 H1A 126.2 . .
C27 N4 C26 108.0(4) . .
C27 N4 H4A 126.0 . .
C26 N4 H4A 126.0 . .
C28 N3 C30 107.2(3) . .
C28 N3 H3B 126.4 . .
C30 N3 H3B 126.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O4 2.335(3) 2_644
Gd1 O3 2.338(3) 4_566
Gd1 O2 2.338(2) 3_655
Gd1 O1 2.340(3) .
Gd1 O5 2.364(3) .
Gd1 O7 2.439(2) 2_755
Gd1 O1W 2.459(3) .
Gd1 O8 2.505(2) 2_755
Gd1 C24 2.841(3) 2_755
Gd1 H1WB 2.61(3) .
O1W H1WA 0.840(17) .
O1W H1WB 0.799(16) .
O8 C24 1.267(4) .
O8 Gd1 2.505(2) 2_745
O6 C23 1.275(4) .
O1 C11 1.250(4) .
O2 C11 1.221(4) .
O2 Gd1 2.338(2) 3_655
O7 C24 1.258(5) .
O7 Gd1 2.439(2) 2_745
O5 C23 1.227(4) .
O4 C12 1.233(5) .
O4 Gd1 2.335(3) 2_654
O3 C12 1.233(5) .
O3 Gd1 2.338(3) 4_565
C6 C7 1.368(5) .
C6 C5 1.422(4) .
C6 H6A 0.9300 .
C3 C4 1.364(4) .
C3 C2 1.411(4) .
C3 H3A 0.9300 .
C11 C1 1.512(4) .
C10 C9 1.417(5) .
C10 C1 1.427(4) .
C10 C5 1.424(4) .
C4 C5 1.419(4) .
C4 C12 1.500(4) .
C22 C21 1.428(5) .
C22 C13 1.404(5) .
C22 C17 1.428(4) .
C16 C15 1.396(5) .
C16 C17 1.422(5) .
C16 C24 1.492(4) .
C17 C18 1.414(6) .
C1 C2 1.358(4) .
C13 C14 1.385(5) .
C13 C23 1.511(4) .
C2 H2A 0.9300 .
C7 C8 1.411(5) .
C7 H7A 0.9300 .
C14 C15 1.398(5) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C9 C8 1.364(5) .
C9 H9A 0.9300 .
C19 C20 1.415(6) .
C19 C18 1.365(6) .
C19 H19A 0.9300 .
C18 H18A 0.9300 .
C21 C20 1.365(6) .
C21 H21A 0.9300 .
C8 H8A 0.9300 .
C20 H20A 0.9300 .
C27 N4 1.319(4) .
C27 N1 1.345(4) .
C27 C28 1.445(4) .
C28 N3 1.303(4) .
C28 N2 1.340(5) .
C30 C29 1.345(6) .
C30 N3 1.377(5) .
C30 H30A 0.9300 .
C29 N2 1.385(4) .
C29 H29A 0.9300 .
C26 C25 1.364(7) .
C26 N4 1.384(5) .
C26 H26A 0.9300 .
C25 N1 1.364(5) .
C25 H25A 0.9300 .
C24 Gd1 2.841(3) 2_745
N1 H1A 0.8600 .
N4 H4A 0.8600 .
N3 H3B 0.8600 .
