#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:11:03 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/49/7044978.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_7044978
loop_
_publ_author_name
'Luo, Li-Lin'
'Qu, Xiang-Long'
'Li, Zheng'
'Li, Xia'
'Sun, Hao-Ling'
_publ_section_title
;
 Isostructural lanthanide-based metal-organic frameworks: structure,
 photoluminescence and magnetic properties.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              925
_journal_page_last               934
_journal_paper_doi               10.1039/c7dt04024e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C27 H16 Gd N2 O7'
_chemical_formula_weight         637.67
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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
;
2015-06-19 deposited with the CCDC.
2017-12-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 105.6510(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6274(4)
_cell_length_b                   16.8937(7)
_cell_length_c                   15.1022(6)
_cell_measurement_temperature    296(2)
_cell_volume                     2365.19(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  bruker-CCD
_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  0.0795
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30914
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    2.856
_exptl_absorpt_correction_T_max  0.6740
_exptl_absorpt_correction_T_min  0.6129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.158
_refine_diff_density_min         -0.610
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4158
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0352
_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)+(0.0352P)²+4.5417P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0783
_reflns_number_gt                3310
_reflns_number_total             4158
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7dt04024e2.cif
_cod_data_source_block           ww_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7044975--7044979.cif.'
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7044978
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 0.31878(2) 0.024918(14) 0.610754(16) 0.02611(10) Uani 1 1 d .
N1 N 0.3378(5) 0.1575(2) 0.6945(3) 0.0348(10) Uani 1 1 d .
N2 N 0.5789(4) 0.0795(3) 0.6816(3) 0.0329(10) Uani 1 1 d .
O1 O 0.3904(4) -0.0418(2) 0.7554(2) 0.0453(10) Uani 1 1 d .
O2 O 0.1802(4) 0.0155(2) 0.7282(3) 0.0435(10) Uani 1 1 d .
O3 O 0.1447(5) 0.0633(2) 1.0601(3) 0.0593(12) Uani 1 1 d .
O4 O 0.0550(4) 0.4222(2) 0.9286(3) 0.0405(9) Uani 1 1 d .
O5 O -0.1238(4) 0.4061(2) 0.9938(2) 0.0341(8) Uani 1 1 d .
O7 O -0.0958(4) -0.0876(2) 0.4668(2) 0.0371(9) Uani 1 1 d .
O8 O 0.1376(3) -0.0688(2) 0.5386(2) 0.0372(9) Uani 1 1 d .
C1 C 0.2212(7) 0.1941(3) 0.7040(4) 0.0496(16) Uani 1 1 d .
H1A H 0.1318 0.1709 0.6785 0.060 Uiso 1 1 calc R
C2 C 0.2257(8) 0.2660(4) 0.7504(5) 0.0595(18) Uani 1 1 d .
H2A H 0.1412 0.2896 0.7558 0.071 Uiso 1 1 calc R
C3 C 0.3546(9) 0.3004(4) 0.7873(4) 0.062(2) Uani 1 1 d .
H3A H 0.3596 0.3478 0.8194 0.074 Uiso 1 1 calc R
C4 C 0.4799(7) 0.2654(3) 0.7773(4) 0.0498(16) Uani 1 1 d .
C5 C 0.6194(9) 0.3003(4) 0.8108(5) 0.074(2) Uani 1 1 d .
H5A H 0.6285 0.3486 0.8414 0.088 Uiso 1 1 calc R
C6 C 0.7377(8) 0.2647(5) 0.7988(5) 0.072(2) Uani 1 1 d .
H6A H 0.8263 0.2903 0.8183 0.086 Uiso 1 1 calc R
C7 C 0.7307(7) 0.1884(4) 0.7569(4) 0.0511(16) Uani 1 1 d .
C8 C 0.8506(7) 0.1454(5) 0.7492(5) 0.068(2) Uani 1 1 d .
H8A H 0.9423 0.1669 0.7718 0.082 Uiso 1 1 calc R
C9 C 0.8358(6) 0.0737(5) 0.7098(4) 0.0619(19) Uani 1 1 d .
H9A H 0.9162 0.0452 0.7052 0.074 Uiso 1 1 calc R
C10 C 0.6974(6) 0.0429(4) 0.6759(4) 0.0486(16) Uani 1 1 d .
H10A H 0.6879 -0.0064 0.6476 0.058 Uiso 1 1 calc R
C11 C 0.5942(6) 0.1522(3) 0.7220(3) 0.0369(13) Uani 1 1 d .
C12 C 0.4678(6) 0.1920(3) 0.7315(3) 0.0345(12) Uani 1 1 d .
C13 C 0.2848(6) -0.0179(3) 0.7828(4) 0.0343(12) Uani 1 1 d .
C14 C 0.2918(6) -0.0278(3) 0.8831(4) 0.0368(12) Uani 1 1 d .
C15 C 0.3839(6) -0.0816(3) 0.9367(4) 0.0422(14) Uani 1 1 d .
H15A H 0.4392 -0.1146 0.9104 0.051 Uiso 1 1 calc R
C16 C 0.3945(7) -0.0868(4) 1.0287(4) 0.0509(16) Uani 1 1 d .
H16A H 0.4545 -0.1249 1.0641 0.061 Uiso 1 1 calc R
C17 C 0.3176(7) -0.0365(4) 1.0698(4) 0.0493(16) Uani 1 1 d .
H17A H 0.3279 -0.0390 1.1327 0.059 Uiso 1 1 calc R
C18 C 0.2252(6) 0.0177(3) 1.0157(4) 0.0393(13) Uani 1 1 d .
C20 C 0.2095(6) 0.0221(3) 0.9226(4) 0.0383(13) Uani 1 1 d .
H20A H 0.1451 0.0579 0.8864 0.046 Uiso 1 1 calc R
C21 C 0.1103(7) 0.1404(3) 1.0341(4) 0.0420(14) Uani 1 1 d .
C22 C 0.2034(6) 0.1917(3) 1.0071(4) 0.0477(15) Uani 1 1 d .
H22A H 0.2929 0.1738 1.0032 0.057 Uiso 1 1 calc R
C23 C 0.1631(6) 0.2696(3) 0.9861(4) 0.0411(14) Uani 1 1 d .
H23A H 0.2250 0.3037 0.9668 0.049 Uiso 1 1 calc R
C24 C 0.0309(5) 0.2971(3) 0.9936(3) 0.0307(12) Uani 1 1 d .
C25 C -0.0607(6) 0.2451(3) 1.0223(4) 0.0401(14) Uani 1 1 d .
H25A H -0.1495 0.2629 1.0276 0.048 Uiso 1 1 calc R
C26 C -0.0202(6) 0.1675(3) 1.0428(4) 0.0419(14) Uani 1 1 d .
H26A H -0.0813 0.1334 1.0627 0.050 Uiso 1 1 calc R
C27 C -0.0137(5) 0.3807(3) 0.9711(3) 0.0293(11) Uani 1 1 d .
C28 C 0.0120(5) -0.0452(3) 0.5012(3) 0.0279(12) 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'
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 O5 86.05(12) 2_546 4_665
O4 Gd1 O1 80.61(13) 2_546 .
O5 Gd1 O1 150.44(12) 4_665 .
O4 Gd1 O8 75.67(12) 2_546 .
O5 Gd1 O8 106.39(12) 4_665 .
O1 Gd1 O8 95.74(13) . .
O4 Gd1 O7 132.60(13) 2_546 3_556
O5 Gd1 O7 76.72(12) 4_665 3_556
O1 Gd1 O7 130.92(12) . 3_556
O8 Gd1 O7 67.81(12) . 3_556
O4 Gd1 O2 124.01(13) 2_546 .
O5 Gd1 O2 149.51(12) 4_665 .
O1 Gd1 O2 52.96(12) . .
O8 Gd1 O2 79.47(13) . .
O7 Gd1 O2 78.20(12) 3_556 .
O4 Gd1 N1 145.28(13) 2_546 .
O5 Gd1 N1 86.33(13) 4_665 .
O1 Gd1 N1 89.78(13) . .
O8 Gd1 N1 138.80(13) . .
O7 Gd1 N1 77.86(13) 3_556 .
O2 Gd1 N1 71.62(13) . .
O4 Gd1 N2 81.76(13) 2_546 .
O5 Gd1 N2 74.56(12) 4_665 .
O1 Gd1 N2 77.49(13) . .
O8 Gd1 N2 157.24(13) . .
O7 Gd1 N2 132.65(13) 3_556 .
O2 Gd1 N2 111.63(13) . .
N1 Gd1 N2 63.56(14) . .
O4 Gd1 C13 104.36(14) 2_546 .
O5 Gd1 C13 162.56(14) 4_665 .
O1 Gd1 C13 26.69(14) . .
O8 Gd1 C13 89.92(14) . .
O7 Gd1 C13 104.74(14) 3_556 .
O2 Gd1 C13 26.54(13) . .
N1 Gd1 C13 77.15(14) . .
N2 Gd1 C13 92.86(14) . .
C1 N1 C12 118.1(5) . .
C1 N1 Gd1 120.9(4) . .
C12 N1 Gd1 121.0(3) . .
C10 N2 C11 117.4(5) . .
C10 N2 Gd1 123.9(4) . .
C11 N2 Gd1 118.6(3) . .
C13 O1 Gd1 95.2(3) . .
C13 O2 Gd1 90.4(3) . .
C21 O3 C18 120.7(4) . .
C27 O4 Gd1 161.5(3) . 2_556
C27 O5 Gd1 140.0(3) . 4_566
C28 O7 Gd1 118.9(3) . 3_556
C28 O8 Gd1 119.4(3) . .
N1 C1 C2 123.2(6) . .
N1 C1 H1A 118.4 . .
C2 C1 H1A 118.4 . .
C3 C2 C1 118.9(6) . .
C3 C2 H2A 120.5 . .
C1 C2 H2A 120.5 . .
C2 C3 C4 120.1(6) . .
C2 C3 H3A 120.0 . .
C4 C3 H3A 120.0 . .
C3 C4 C12 118.0(6) . .
C3 C4 C5 123.2(6) . .
C12 C4 C5 118.8(6) . .
C6 C5 C4 121.2(6) . .
C6 C5 H5A 119.4 . .
C4 C5 H5A 119.4 . .
C5 C6 C7 121.5(6) . .
C5 C6 H6A 119.2 . .
C7 C6 H6A 119.2 . .
C8 C7 C11 116.7(6) . .
C8 C7 C6 124.4(6) . .
C11 C7 C6 118.9(6) . .
C9 C8 C7 121.1(6) . .
C9 C8 H8A 119.4 . .
C7 C8 H8A 119.4 . .
C8 C9 C10 118.5(6) . .
C8 C9 H9A 120.7 . .
C10 C9 H9A 120.7 . .
N2 C10 C9 123.9(6) . .
N2 C10 H10A 118.0 . .
C9 C10 H10A 118.0 . .
N2 C11 C7 122.3(5) . .
N2 C11 C12 118.5(5) . .
C7 C11 C12 119.2(5) . .
N1 C12 C4 121.7(5) . .
N1 C12 C11 118.2(5) . .
C4 C12 C11 120.2(5) . .
O2 C13 O1 120.3(5) . .
O2 C13 C14 121.5(5) . .
O1 C13 C14 118.2(5) . .
O2 C13 Gd1 63.0(3) . .
O1 C13 Gd1 58.2(3) . .
C14 C13 Gd1 167.6(4) . .
C15 C14 C20 120.0(5) . .
C15 C14 C13 120.8(5) . .
C20 C14 C13 119.1(5) . .
C16 C15 C14 120.0(5) . .
C16 C15 H15A 120.0 . .
C14 C15 H15A 120.0 . .
C15 C16 C17 121.0(6) . .
C15 C16 H16A 119.5 . .
C17 C16 H16A 119.5 . .
C16 C17 C18 118.8(5) . .
C16 C17 H17A 120.6 . .
C18 C17 H17A 120.6 . .
C20 C18 C17 121.0(5) . .
C20 C18 O3 122.9(5) . .
C17 C18 O3 116.0(5) . .
C18 C20 C14 119.1(5) . .
C18 C20 H20A 120.5 . .
C14 C20 H20A 120.5 . .
O3 C21 C26 116.3(5) . .
O3 C21 C22 123.5(5) . .
C26 C21 C22 120.0(5) . .
C21 C22 C23 119.9(5) . .
C21 C22 H22A 120.0 . .
C23 C22 H22A 120.0 . .
C22 C23 C24 120.3(5) . .
C22 C23 H23A 119.8 . .
C24 C23 H23A 119.8 . .
C23 C24 C25 119.1(5) . .
C23 C24 C27 120.8(5) . .
C25 C24 C27 120.1(5) . .
C26 C25 C24 120.3(5) . .
C26 C25 H25A 119.9 . .
C24 C25 H25A 119.9 . .
C21 C26 C25 120.3(5) . .
C21 C26 H26A 119.9 . .
C25 C26 H26A 119.9 . .
O4 C27 O5 123.0(5) . .
O4 C27 C24 119.2(5) . .
O5 C27 C24 117.8(4) . .
O7 C28 O8 126.5(4) . .
O7 C28 C28 117.0(5) . 3_556
O8 C28 C28 116.5(5) . 3_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O4 2.287(3) 2_546
Gd1 O5 2.304(3) 4_665
Gd1 O1 2.388(4) .
Gd1 O8 2.390(3) .
Gd1 O7 2.397(3) 3_556
Gd1 O2 2.495(4) .
Gd1 N1 2.555(4) .
Gd1 N2 2.612(4) .
Gd1 C13 2.800(5) .
N1 C1 1.322(7) .
N1 C12 1.357(6) .
N2 C10 1.322(7) .
N2 C11 1.361(7) .
O1 C13 1.262(6) .
O2 C13 1.251(6) .
O3 C21 1.376(6) .
O3 C18 1.386(6) .
O4 C27 1.252(6) .
O4 Gd1 2.287(3) 2_556
O5 C27 1.273(6) .
O5 Gd1 2.304(3) 4_566
O7 C28 1.253(6) .
O7 Gd1 2.397(3) 3_556
O8 C28 1.253(5) .
C1 C2 1.396(8) .
C1 H1A 0.9300 .
C2 C3 1.348(9) .
C2 H2A 0.9300 .
C3 C4 1.388(9) .
C3 H3A 0.9300 .
C4 C12 1.409(8) .
C4 C5 1.428(9) .
C5 C6 1.342(10) .
C5 H5A 0.9300 .
C6 C7 1.429(10) .
C6 H6A 0.9300 .
C7 C8 1.396(9) .
C7 C11 1.416(8) .
C8 C9 1.340(10) .
C8 H8A 0.9300 .
C9 C10 1.393(8) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.431(7) .
C13 C14 1.507(8) .
C14 C15 1.372(7) .
C14 C20 1.396(7) .
C15 C16 1.369(7) .
C15 H15A 0.9300 .
C16 C17 1.380(8) .
C16 H16A 0.9300 .
C17 C18 1.380(8) .
C17 H17A 0.9300 .
C18 C20 1.376(8) .
C20 H20A 0.9300 .
C21 C26 1.377(8) .
C21 C22 1.383(8) .
C22 C23 1.385(8) .
C22 H22A 0.9300 .
C23 C24 1.388(7) .
C23 H23A 0.9300 .
C24 C25 1.393(7) .
C24 C27 1.490(7) .
C25 C26 1.379(8) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C28 C28 1.543(9) 3_556
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
O4 Gd1 N1 C1 -174.3(4) 2_546 .
O5 Gd1 N1 C1 108.0(4) 4_665 .
O1 Gd1 N1 C1 -101.3(4) . .
O8 Gd1 N1 C1 -2.8(5) . .
O7 Gd1 N1 C1 30.9(4) 3_556 .
O2 Gd1 N1 C1 -50.6(4) . .
N2 Gd1 N1 C1 -177.4(5) . .
C13 Gd1 N1 C1 -77.6(4) . .
O4 Gd1 N1 C12 4.9(5) 2_546 .
O5 Gd1 N1 C12 -72.7(4) 4_665 .
O1 Gd1 N1 C12 78.0(4) . .
O8 Gd1 N1 C12 176.4(3) . .
O7 Gd1 N1 C12 -149.9(4) 3_556 .
O2 Gd1 N1 C12 128.7(4) . .
N2 Gd1 N1 C12 1.9(3) . .
C13 Gd1 N1 C12 101.7(4) . .
O4 Gd1 N2 C10 2.1(4) 2_546 .
O5 Gd1 N2 C10 -86.1(4) 4_665 .
O1 Gd1 N2 C10 84.2(4) . .
O8 Gd1 N2 C10 9.5(6) . .
O7 Gd1 N2 C10 -140.7(4) 3_556 .
O2 Gd1 N2 C10 125.5(4) . .
N1 Gd1 N2 C10 -179.7(5) . .
C13 Gd1 N2 C10 106.2(4) . .
O4 Gd1 N2 C11 177.8(4) 2_546 .
O5 Gd1 N2 C11 89.7(4) 4_665 .
O1 Gd1 N2 C11 -100.0(4) . .
O8 Gd1 N2 C11 -174.7(3) . .
O7 Gd1 N2 C11 35.0(4) 3_556 .
O2 Gd1 N2 C11 -58.8(4) . .
N1 Gd1 N2 C11 -4.0(3) . .
C13 Gd1 N2 C11 -78.1(4) . .
O4 Gd1 O1 C13 -152.7(3) 2_546 .
O5 Gd1 O1 C13 143.0(3) 4_665 .
O8 Gd1 O1 C13 -78.3(3) . .
O7 Gd1 O1 C13 -12.8(4) 3_556 .
O2 Gd1 O1 C13 -6.1(3) . .
N1 Gd1 O1 C13 60.8(3) . .
N2 Gd1 O1 C13 123.7(3) . .
O4 Gd1 O2 C13 47.1(3) 2_546 .
O5 Gd1 O2 C13 -143.9(3) 4_665 .
O1 Gd1 O2 C13 6.1(3) . .
O8 Gd1 O2 C13 111.7(3) . .
O7 Gd1 O2 C13 -179.1(3) 3_556 .
N1 Gd1 O2 C13 -98.1(3) . .
N2 Gd1 O2 C13 -47.6(3) . .
O4 Gd1 O8 C28 -154.5(4) 2_546 .
O5 Gd1 O8 C28 -73.1(4) 4_665 .
O1 Gd1 O8 C28 126.7(3) . .
O7 Gd1 O8 C28 -5.3(3) 3_556 .
O2 Gd1 O8 C28 76.1(3) . .
N1 Gd1 O8 C28 30.5(4) . .
N2 Gd1 O8 C28 -162.1(3) . .
C13 Gd1 O8 C28 100.6(4) . .
C12 N1 C1 C2 -0.4(9) . .
Gd1 N1 C1 C2 178.9(5) . .
N1 C1 C2 C3 0.4(10) . .
C1 C2 C3 C4 1.2(10) . .
C2 C3 C4 C12 -2.7(9) . .
C2 C3 C4 C5 177.0(6) . .
C3 C4 C5 C6 -179.3(7) . .
C12 C4 C5 C6 0.4(10) . .
C4 C5 C6 C7 -3.6(12) . .
C5 C6 C7 C8 -174.6(7) . .
C5 C6 C7 C11 4.1(11) . .
C11 C7 C8 C9 0.6(10) . .
C6 C7 C8 C9 179.3(7) . .
C7 C8 C9 C10 0.4(11) . .
C11 N2 C10 C9 1.0(9) . .
Gd1 N2 C10 C9 176.8(5) . .
C8 C9 C10 N2 -1.3(10) . .
C10 N2 C11 C7 0.1(8) . .
Gd1 N2 C11 C7 -175.9(4) . .
C10 N2 C11 C12 -178.1(5) . .
Gd1 N2 C11 C12 5.8(6) . .
C8 C7 C11 N2 -0.9(8) . .
C6 C7 C11 N2 -179.7(6) . .
C8 C7 C11 C12 177.4(5) . .
C6 C7 C11 C12 -1.4(8) . .
C1 N1 C12 C4 -1.2(8) . .
Gd1 N1 C12 C4 179.5(4) . .
C1 N1 C12 C11 179.5(5) . .
Gd1 N1 C12 C11 0.2(6) . .
C3 C4 C12 N1 2.7(8) . .
C5 C4 C12 N1 -177.0(5) . .
C3 C4 C12 C11 -178.0(5) . .
C5 C4 C12 C11 2.3(8) . .
N2 C11 C12 N1 -4.1(7) . .
C7 C11 C12 N1 177.6(5) . .
N2 C11 C12 C4 176.6(5) . .
C7 C11 C12 C4 -1.7(8) . .
Gd1 O2 C13 O1 -10.8(5) . .
Gd1 O2 C13 C14 166.7(4) . .
Gd1 O1 C13 O2 11.3(5) . .
Gd1 O1 C13 C14 -166.3(4) . .
O4 Gd1 C13 O2 -141.2(3) 2_546 .
O5 Gd1 C13 O2 93.5(5) 4_665 .
O1 Gd1 C13 O2 -169.1(5) . .
O8 Gd1 C13 O2 -66.0(3) . .
O7 Gd1 C13 O2 1.0(3) 3_556 .
N1 Gd1 C13 O2 74.5(3) . .
N2 Gd1 C13 O2 136.6(3) . .
O4 Gd1 C13 O1 27.8(3) 2_546 .
O5 Gd1 C13 O1 -97.4(5) 4_665 .
O8 Gd1 C13 O1 103.0(3) . .
O7 Gd1 C13 O1 170.0(3) 3_556 .
O2 Gd1 C13 O1 169.1(5) . .
N1 Gd1 C13 O1 -116.4(3) . .
N2 Gd1 C13 O1 -54.4(3) . .
O4 Gd1 C13 C14 104.4(18) 2_546 .
O5 Gd1 C13 C14 -21(2) 4_665 .
O1 Gd1 C13 C14 76.5(18) . .
O8 Gd1 C13 C14 179.6(18) . .
O7 Gd1 C13 C14 -113.5(18) 3_556 .
O2 Gd1 C13 C14 -114.4(19) . .
N1 Gd1 C13 C14 -39.9(18) . .
N2 Gd1 C13 C14 22.2(18) . .
O2 C13 C14 C15 162.3(5) . .
O1 C13 C14 C15 -20.1(8) . .
Gd1 C13 C14 C15 -89.8(18) . .
O2 C13 C14 C20 -21.7(8) . .
O1 C13 C14 C20 155.9(5) . .
Gd1 C13 C14 C20 86.2(19) . .
C20 C14 C15 C16 0.5(8) . .
C13 C14 C15 C16 176.4(5) . .
C14 C15 C16 C17 -2.5(9) . .
C15 C16 C17 C18 2.3(9) . .
C16 C17 C18 C20 -0.2(9) . .
C16 C17 C18 O3 176.2(5) . .
C21 O3 C18 C20 -37.6(8) . .
C21 O3 C18 C17 146.0(6) . .
C17 C18 C20 C14 -1.7(8) . .
O3 C18 C20 C14 -177.9(5) . .
C15 C14 C20 C18 1.6(8) . .
C13 C14 C20 C18 -174.4(5) . .
C18 O3 C21 C26 147.3(5) . .
C18 O3 C21 C22 -37.7(9) . .
O3 C21 C22 C23 -177.0(5) . .
C26 C21 C22 C23 -2.1(9) . .
C21 C22 C23 C24 1.3(9) . .
C22 C23 C24 C25 -0.2(8) . .
C22 C23 C24 C27 -179.9(5) . .
C23 C24 C25 C26 0.0(8) . .
C27 C24 C25 C26 179.7(5) . .
O3 C21 C26 C25 177.1(5) . .
C22 C21 C26 C25 1.9(9) . .
C24 C25 C26 C21 -0.8(9) . .
Gd1 O4 C27 O5 52.7(13) 2_556 .
Gd1 O4 C27 C24 -129.5(9) 2_556 .
Gd1 O5 C27 O4 -86.0(6) 4_566 .
Gd1 O5 C27 C24 96.2(5) 4_566 .
C23 C24 C27 O4 13.8(7) . .
C25 C24 C27 O4 -166.0(5) . .
C23 C24 C27 O5 -168.4(5) . .
C25 C24 C27 O5 11.9(7) . .
Gd1 O7 C28 O8 -175.2(4) 3_556 .
Gd1 O7 C28 C28 5.8(7) 3_556 3_556
Gd1 O8 C28 O7 -174.5(4) . .
Gd1 O8 C28 C28 4.5(7) . 3_556
