#------------------------------------------------------------------------------
#$Date: 2017-11-07 05:31:36 +0200 (Tue, 07 Nov 2017) $
#$Revision: 202881 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/46/7044681.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_7044681
loop_
_publ_author_name
'Xiao, Ying-Hui'
'Deng, Zhaopeng'
'Zhu, Zhi-Biao'
'Huo, Li-Hua'
'Gao, Shan'
_publ_section_title
;
 Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl
 Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet,
 Visible and Near-Infrared Luminescence
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C7DT03254D
_journal_year                    2017
_chemical_formula_moiety         'C17 H13 Gd N2 O7 S'
_chemical_formula_sum            'C17 H13 Gd N2 O7 S'
_chemical_formula_weight         546.60
_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
_audit_update_record
;
2017-05-13 deposited with the CCDC.
2017-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.729(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2180(5)
_cell_length_b                   8.5475(3)
_cell_length_c                   17.9929(9)
_cell_measurement_reflns_used    2909
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      3.47
_cell_volume                     1643.33(13)
_computing_cell_refinement
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis Pro (Agilent, 2013)
;
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 16.1954
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0671
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5652
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         3.48
_exptl_absorpt_coefficient_mu    4.212
_exptl_absorpt_correction_T_max  0.5707
_exptl_absorpt_correction_T_min  0.4717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.307
_refine_diff_density_min         -1.804
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3770
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0384
_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)+(0.0167P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0729
_reflns_number_gt                3118
_reflns_number_total             3770
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7dt03254d2.cif
_cod_data_source_block           5-Gd
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7044681
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
Gd1 Gd 0.17653(2) 1.03791(3) 0.307003(15) 0.01200(8) Uani 1 1 d .
S1 S 0.14636(12) 0.63085(15) 0.33990(8) 0.0139(3) Uani 1 1 d .
O1W O 0.0687(4) 1.2684(4) 0.2345(2) 0.0223(9) Uani 1 1 d D
H1W1 H 0.059(6) 1.340(4) 0.265(3) 0.033 Uiso 1 1 d D
H1W2 H 0.104(5) 1.308(5) 0.203(3) 0.033 Uiso 1 1 d D
O1 O 0.0858(3) 0.7855(4) 0.3315(2) 0.0186(8) Uani 1 1 d .
O2 O 0.0644(3) 0.5065(4) 0.3502(2) 0.0207(9) Uani 1 1 d .
O3 O 0.1947(3) 0.5974(4) 0.2747(2) 0.0205(9) Uani 1 1 d .
O4 O 0.3375(3) 0.8852(4) 0.3798(2) 0.0171(8) Uani 1 1 d .
O5 O 0.6743(3) 0.7645(4) 0.6320(2) 0.0207(9) Uani 1 1 d .
O6 O 0.5861(3) 0.5836(4) 0.6886(2) 0.0217(9) Uani 1 1 d .
N1 N 0.1415(4) 1.1124(5) 0.4383(3) 0.0198(10) Uani 1 1 d .
N2 N -0.0519(4) 1.0673(5) 0.3118(3) 0.0179(10) Uani 1 1 d .
C1 C 0.2735(5) 0.6442(6) 0.4248(3) 0.0158(11) Uani 1 1 d .
C2 C 0.3539(5) 0.7764(6) 0.4345(3) 0.0147(11) Uani 1 1 d .
C3 C 0.4518(5) 0.7829(6) 0.5054(3) 0.0170(12) Uani 1 1 d .
H3 H 0.5047 0.8693 0.5149 0.020 Uiso 1 1 calc R
C4 C 0.4735(5) 0.6668(6) 0.5618(3) 0.0143(11) Uani 1 1 d .
C5 C 0.3917(5) 0.5392(6) 0.5502(3) 0.0159(11) Uani 1 1 d .
H5 H 0.4045 0.4610 0.5877 0.019 Uiso 1 1 calc R
C6 C 0.2916(5) 0.5301(6) 0.4824(3) 0.0160(11) Uani 1 1 d .
H6 H 0.2360 0.4467 0.4752 0.019 Uiso 1 1 calc R
C7 C 0.5868(5) 0.6737(6) 0.6328(3) 0.0154(11) Uani 1 1 d .
C8 C 0.2393(6) 1.1212(7) 0.5026(3) 0.0254(13) Uani 1 1 d .
H8 H 0.3156 1.0821 0.5006 0.030 Uiso 1 1 calc R
C9 C 0.2339(6) 1.1855(7) 0.5723(4) 0.0307(15) Uani 1 1 d .
H9 H 0.3043 1.1892 0.6160 0.037 Uiso 1 1 calc R
C10 C 0.1208(7) 1.2433(8) 0.5743(4) 0.0412(18) Uani 1 1 d .
H10 H 0.1137 1.2883 0.6198 0.049 Uiso 1 1 calc R
C11 C 0.0186(6) 1.2347(7) 0.5094(4) 0.0336(16) Uani 1 1 d .
H11 H -0.0582 1.2733 0.5108 0.040 Uiso 1 1 calc R
C12 C 0.0296(5) 1.1678(6) 0.4411(4) 0.0207(13) Uani 1 1 d .
C13 C -0.0772(5) 1.1399(6) 0.3716(3) 0.0192(12) Uani 1 1 d .
C14 C -0.2020(6) 1.1738(7) 0.3673(4) 0.0326(16) Uani 1 1 d .
H14 H -0.2192 1.2300 0.4071 0.039 Uiso 1 1 calc R
C15 C -0.2970(6) 1.1246(8) 0.3052(4) 0.0391(18) Uani 1 1 d .
H15 H -0.3794 1.1480 0.3020 0.047 Uiso 1 1 calc R
C16 C -0.2713(5) 1.0401(7) 0.2471(4) 0.0298(14) Uani 1 1 d .
H16 H -0.3350 0.9987 0.2058 0.036 Uiso 1 1 calc R
C17 C -0.1466(5) 1.0190(7) 0.2524(4) 0.0273(14) Uani 1 1 d .
H17 H -0.1283 0.9675 0.2117 0.033 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'
S S 0.1246 0.1234 '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 O6 108.65(13) . 4_575
O4 Gd1 O5 79.67(13) . 3_676
O6 Gd1 O5 142.14(12) 4_575 3_676
O4 Gd1 O3 87.39(12) . 2
O6 Gd1 O3 73.04(12) 4_575 2
O5 Gd1 O3 70.49(12) 3_676 2
O4 Gd1 O1W 158.80(13) . .
O6 Gd1 O1W 82.20(13) 4_575 .
O5 Gd1 O1W 80.84(13) 3_676 .
O3 Gd1 O1W 78.28(12) 2 .
O4 Gd1 O1 72.38(12) . .
O6 Gd1 O1 71.60(13) 4_575 .
O5 Gd1 O1 142.97(13) 3_676 .
O3 Gd1 O1 130.31(12) 2 .
O1W Gd1 O1 128.82(13) . .
O4 Gd1 N1 86.03(13) . .
O6 Gd1 N1 143.74(13) 4_575 .
O5 Gd1 N1 71.78(13) 3_676 .
O3 Gd1 N1 142.26(14) 2 .
O1W Gd1 N1 95.74(13) . .
O1 Gd1 N1 82.36(13) . .
O4 Gd1 N2 130.49(12) . .
O6 Gd1 N2 85.04(14) 4_575 .
O5 Gd1 N2 118.31(13) 3_676 .
O3 Gd1 N2 141.22(14) 2 .
O1W Gd1 N2 67.14(12) . .
O1 Gd1 N2 67.45(12) . .
N1 Gd1 N2 61.42(15) . .
O2 S1 O3 111.3(2) . .
O2 S1 O1 112.3(2) . .
O3 S1 O1 111.5(2) . .
O2 S1 C1 108.4(2) . .
O3 S1 C1 108.1(2) . .
O1 S1 C1 105.0(2) . .
Gd1 O1W H1W1 112(4) . .
Gd1 O1W H1W2 114(4) . .
H1W1 O1W H1W2 109.0(17) . .
S1 O1 Gd1 126.63(19) . .
S1 O3 Gd1 165.6(3) . 2_545
C2 O4 Gd1 137.0(3) . .
C7 O5 Gd1 150.5(3) . 3_676
C7 O6 Gd1 153.9(4) . 4_676
C8 N1 C12 118.3(5) . .
C8 N1 Gd1 119.5(3) . .
C12 N1 Gd1 121.3(4) . .
C17 N2 C13 118.5(5) . .
C17 N2 Gd1 120.0(3) . .
C13 N2 Gd1 121.3(4) . .
C6 C1 C2 121.4(5) . .
C6 C1 S1 120.0(4) . .
C2 C1 S1 118.5(4) . .
O4 C2 C3 122.6(5) . .
O4 C2 C1 121.8(5) . .
C3 C2 C1 115.6(5) . .
C4 C3 C2 123.3(5) . .
C4 C3 H3 118.3 . .
C2 C3 H3 118.3 . .
C3 C4 C5 119.2(5) . .
C3 C4 C7 120.5(5) . .
C5 C4 C7 120.3(5) . .
C6 C5 C4 119.6(5) . .
C6 C5 H5 120.2 . .
C4 C5 H5 120.2 . .
C5 C6 C1 120.7(5) . .
C5 C6 H6 119.6 . .
C1 C6 H6 119.6 . .
O5 C7 O6 125.3(5) . .
O5 C7 C4 118.5(5) . .
O6 C7 C4 116.2(5) . .
N1 C8 C9 123.8(6) . .
N1 C8 H8 118.1 . .
C9 C8 H8 118.1 . .
C10 C9 C8 117.5(6) . .
C10 C9 H9 121.2 . .
C8 C9 H9 121.2 . .
C11 C10 C9 120.0(6) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 C12 119.9(6) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
N1 C12 C11 120.5(6) . .
N1 C12 C13 115.9(5) . .
C11 C12 C13 123.4(5) . .
N2 C13 C14 119.9(6) . .
N2 C13 C12 116.2(5) . .
C14 C13 C12 123.7(5) . .
C15 C14 C13 120.1(6) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C14 C15 C16 119.7(6) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C15 C16 C17 117.3(6) . .
C15 C16 H16 121.4 . .
C17 C16 H16 121.4 . .
N2 C17 C16 124.2(6) . .
N2 C17 H17 117.9 . .
C16 C17 H17 117.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O4 2.289(4) .
Gd1 O6 2.308(4) 4_575
Gd1 O5 2.395(4) 3_676
Gd1 O3 2.409(3) 2
Gd1 O1W 2.467(4) .
Gd1 O1 2.482(3) .
Gd1 N1 2.589(4) .
Gd1 N2 2.603(4) .
S1 O2 1.454(3) .
S1 O3 1.462(3) .
S1 O1 1.473(4) .
S1 C1 1.747(6) .
O1W H1W1 0.85(5) .
O1W H1W2 0.85(5) .
O3 Gd1 2.409(3) 2_545
O4 C2 1.325(6) .
O5 C7 1.255(6) .
O5 Gd1 2.395(4) 3_676
O6 C7 1.268(6) .
O6 Gd1 2.308(4) 4_676
N1 C8 1.332(8) .
N1 C12 1.357(6) .
N2 C17 1.322(8) .
N2 C13 1.346(6) .
C1 C6 1.392(7) .
C1 C2 1.423(7) .
C2 C3 1.409(8) .
C3 C4 1.387(7) .
C3 H3 0.9300 .
C4 C5 1.399(7) .
C4 C7 1.503(8) .
C5 C6 1.386(7) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C8 C9 1.388(8) .
C8 H8 0.9300 .
C9 C10 1.373(9) .
C9 H9 0.9300 .
C10 C11 1.366(9) .
C10 H10 0.9300 .
C11 C12 1.395(8) .
C11 H11 0.9300 .
C12 C13 1.464(8) .
C13 C14 1.409(7) .
C14 C15 1.355(10) .
C14 H14 0.9300 .
C15 C16 1.372(9) .
C15 H15 0.9300 .
C16 C17 1.384(8) .
C16 H16 0.9300 .
C17 H17 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1W1 O2 0.85(5) 2.080(15) 2.923(5) 171(6) 1_565
O1W H1W1 O3 0.85(5) 2.66(4) 3.131(5) 117(3) 1_565
O1W H1W2 O4 0.85(5) 1.922(14) 2.765(5) 171(6) 2
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_4
O2 S1 O1 Gd1 -177.3(2) . .
O3 S1 O1 Gd1 -51.7(3) . .
C1 S1 O1 Gd1 65.2(3) . .
O4 Gd1 O1 S1 -32.0(3) . .
O6 Gd1 O1 S1 85.3(3) 4_575 .
O5 Gd1 O1 S1 -74.8(3) 3_676 .
O3 Gd1 O1 S1 38.6(3) 2 .
O1W Gd1 O1 S1 148.5(2) . .
N1 Gd1 O1 S1 -120.2(3) . .
N2 Gd1 O1 S1 177.6(3) . .
O2 S1 O3 Gd1 -113.5(9) . 2_545
O1 S1 O3 Gd1 120.3(9) . 2_545
C1 S1 O3 Gd1 5.4(10) . 2_545
O6 Gd1 O4 C2 -95.2(5) 4_575 .
O5 Gd1 O4 C2 123.1(5) 3_676 .
O3 Gd1 O4 C2 -166.3(5) 2 .
O1W Gd1 O4 C2 146.5(4) . .
O1 Gd1 O4 C2 -32.3(5) . .
N1 Gd1 O4 C2 50.9(5) . .
N2 Gd1 O4 C2 4.5(5) . .
O4 Gd1 N1 C8 33.0(4) . .
O6 Gd1 N1 C8 149.6(4) 4_575 .
O5 Gd1 N1 C8 -47.4(4) 3_676 .
O3 Gd1 N1 C8 -47.5(5) 2 .
O1W Gd1 N1 C8 -125.8(4) . .
O1 Gd1 N1 C8 105.8(4) . .
N2 Gd1 N1 C8 174.2(5) . .
O4 Gd1 N1 C12 -158.1(4) . .
O6 Gd1 N1 C12 -41.5(5) 4_575 .
O5 Gd1 N1 C12 121.5(4) 3_676 .
O3 Gd1 N1 C12 121.4(4) 2 .
O1W Gd1 N1 C12 43.1(4) . .
O1 Gd1 N1 C12 -85.3(4) . .
N2 Gd1 N1 C12 -16.9(4) . .
O4 Gd1 N2 C17 -113.1(4) . .
O6 Gd1 N2 C17 -2.8(4) 4_575 .
O5 Gd1 N2 C17 145.8(4) 3_676 .
O3 Gd1 N2 C17 52.1(5) 2 .
O1W Gd1 N2 C17 80.8(4) . .
O1 Gd1 N2 C17 -74.9(4) . .
N1 Gd1 N2 C17 -168.5(5) . .
O4 Gd1 N2 C13 71.0(4) . .
O6 Gd1 N2 C13 -178.6(4) 4_575 .
O5 Gd1 N2 C13 -30.0(4) 3_676 .
O3 Gd1 N2 C13 -123.7(4) 2 .
O1W Gd1 N2 C13 -95.0(4) . .
O1 Gd1 N2 C13 109.3(4) . .
N1 Gd1 N2 C13 15.7(4) . .
O2 S1 C1 C6 9.5(5) . .
O3 S1 C1 C6 -111.3(4) . .
O1 S1 C1 C6 129.6(4) . .
O2 S1 C1 C2 -168.2(4) . .
O3 S1 C1 C2 71.1(4) . .
O1 S1 C1 C2 -48.0(4) . .
Gd1 O4 C2 C3 -129.3(5) . .
Gd1 O4 C2 C1 51.2(7) . .
C6 C1 C2 O4 179.7(4) . .
S1 C1 C2 O4 -2.7(6) . .
C6 C1 C2 C3 0.2(7) . .
S1 C1 C2 C3 177.8(3) . .
O4 C2 C3 C4 -177.2(4) . .
C1 C2 C3 C4 2.3(7) . .
C2 C3 C4 C5 -2.8(7) . .
C2 C3 C4 C7 174.3(4) . .
C3 C4 C5 C6 0.7(7) . .
C7 C4 C5 C6 -176.4(4) . .
C4 C5 C6 C1 1.7(7) . .
C2 C1 C6 C5 -2.2(7) . .
S1 C1 C6 C5 -179.8(4) . .
Gd1 O5 C7 O6 -48.5(10) 3_676 .
Gd1 O5 C7 C4 132.8(6) 3_676 .
Gd1 O6 C7 O5 -8.5(11) 4_676 .
Gd1 O6 C7 C4 170.2(5) 4_676 .
C3 C4 C7 O5 -15.7(7) . .
C5 C4 C7 O5 161.4(4) . .
C3 C4 C7 O6 165.5(4) . .
C5 C4 C7 O6 -17.4(7) . .
C12 N1 C8 C9 -0.7(8) . .
Gd1 N1 C8 C9 168.5(4) . .
N1 C8 C9 C10 -0.2(9) . .
C8 C9 C10 C11 0.7(10) . .
C9 C10 C11 C12 -0.3(10) . .
C8 N1 C12 C11 1.1(8) . .
Gd1 N1 C12 C11 -167.9(4) . .
C8 N1 C12 C13 -173.7(5) . .
Gd1 N1 C12 C13 17.3(6) . .
C10 C11 C12 N1 -0.6(9) . .
C10 C11 C12 C13 173.8(6) . .
C17 N2 C13 C14 -5.0(8) . .
Gd1 N2 C13 C14 170.9(4) . .
C17 N2 C13 C12 170.2(5) . .
Gd1 N2 C13 C12 -13.9(6) . .
N1 C12 C13 N2 -2.1(7) . .
C11 C12 C13 N2 -176.8(5) . .
N1 C12 C13 C14 172.9(5) . .
C11 C12 C13 C14 -1.7(9) . .
N2 C13 C14 C15 4.2(9) . .
C12 C13 C14 C15 -170.7(6) . .
C13 C14 C15 C16 0.8(10) . .
C14 C15 C16 C17 -4.6(10) . .
C13 N2 C17 C16 1.0(9) . .
Gd1 N2 C17 C16 -175.0(4) . .
C15 C16 C17 N2 3.9(9) . .
