#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:27:26 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179920 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/15/7021579.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_7021579
loop_
_publ_author_name
'Goswami, Soumyabrata'
'Adhikary, Amit'
'Jena, Himanshu Sekhar'
'Konar, Sanjit'
_publ_section_title
;
 Lanthanide based coordination polymers chill, relax under magnetic field
 and also fluoresce.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9813
_journal_page_last               9817
_journal_paper_doi               10.1039/c3dt51195b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C10 H4 Gd Na O17 '
_chemical_formula_sum            'C10 H4 Gd Na O17'
_chemical_formula_weight         576.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.160(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.7742(10)
_cell_length_b                   15.937(3)
_cell_length_c                   8.1168(14)
_cell_measurement_reflns_used    3215
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.58
_cell_measurement_theta_min      2.73
_cell_volume                     805.7(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  APEX-II
_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  0.0341
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7374
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    4.241
_exptl_absorpt_correction_T_max  0.318
_exptl_absorpt_correction_T_min  0.162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             550
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.597
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1916
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0171
_refine_ls_R_factor_gt           0.0166
_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)+(0.0200P)²+0.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0416
_refine_ls_wR_factor_ref         0.0419
_reflns_number_gt                1902
_reflns_number_total             1916
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51195b.txt
_cod_data_source_block           Complex1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7021579
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Gd1 Gd 0.16132(2) 0.2500 0.539015(19) 0.01342(6) Uani 1 2 d S
O5 O 0.2891(3) -0.01764(12) 0.5605(2) 0.0227(4) Uani 1 1 d .
O4 O 0.5458(3) -0.13456(12) 0.8497(2) 0.0249(4) Uani 1 1 d .
O3 O 0.8787(2) -0.03419(11) 1.1261(2) 0.0182(3) Uani 1 1 d .
O2 O 0.8334(2) 0.14002(13) 1.0024(2) 0.0243(4) Uani 1 1 d .
O1 O 0.4464(2) 0.15436(13) 0.6891(2) 0.0226(4) Uani 1 1 d .
O6 O 0.1142(2) 0.12313(12) 0.3552(2) 0.0208(4) Uani 1 1 d .
H6 H 0.0304 0.1330 0.2523 0.031 Uiso 1 1 calc R
O10 O 0.4195(4) 0.2500 0.4009(4) 0.0235(5) Uani 1 2 d S
H10 H 0.4044 0.2926 0.3406 0.035 Uiso 0.50 1 calc PR
O8 O -0.0652(2) 0.34655(10) 0.6264(2) 0.0150(3) Uani 1 1 d .
O9 O 0.2298(4) 0.2500 0.8776(3) 0.0225(5) Uani 1 2 d S
O7 O -0.1854(4) 0.2500 0.2935(3) 0.0181(5) Uani 1 2 d S
H7 H -0.2161 0.2021 0.2550 0.027 Uiso 0.50 1 calc PR
C1 C 0.5244(3) 0.08530(18) 0.7580(3) 0.0204(5) Uani 1 1 d .
C5 C 0.4454(3) 0.00115(16) 0.7016(3) 0.0177(4) Uani 1 1 d .
C4 C 0.5745(4) -0.05756(18) 0.8462(3) 0.0209(5) Uani 1 1 d .
C3 C 0.7450(3) -0.00876(15) 0.9820(3) 0.0150(4) Uani 1 1 d .
C2 C 0.7202(4) 0.07829(18) 0.9237(3) 0.0206(5) Uani 1 1 d .
Na1 Na 0.77466(18) 0.2500 0.77249(16) 0.0124(2) Uani 1 2 d S
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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
H H 0.0000 0.0000 '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
O1 Gd1 O1 79.47(9) 4_565 .
O1 Gd1 O7 138.82(5) 4_565 .
O1 Gd1 O7 138.82(5) . .
O1 Gd1 O10 69.46(6) 4_565 .
O1 Gd1 O10 69.46(6) . .
O7 Gd1 O10 105.29(9) . .
O1 Gd1 O6 136.19(6) 4_565 .
O1 Gd1 O6 70.72(6) . .
O7 Gd1 O6 69.29(5) . .
O10 Gd1 O6 70.36(5) . .
O1 Gd1 O6 70.72(6) 4_565 4_565
O1 Gd1 O6 136.19(6) . 4_565
O7 Gd1 O6 69.29(5) . 4_565
O10 Gd1 O6 70.36(5) . 4_565
O6 Gd1 O6 110.70(9) . 4_565
O1 Gd1 O8 136.25(5) 4_565 4_565
O1 Gd1 O8 85.69(6) . 4_565
O7 Gd1 O8 73.96(6) . 4_565
O10 Gd1 O8 141.08(4) . 4_565
O6 Gd1 O8 73.41(6) . 4_565
O6 Gd1 O8 137.81(5) 4_565 4_565
O1 Gd1 O8 85.69(6) 4_565 .
O1 Gd1 O8 136.25(5) . .
O7 Gd1 O8 73.96(6) . .
O10 Gd1 O8 141.08(4) . .
O6 Gd1 O8 137.81(5) . .
O6 Gd1 O8 73.41(6) 4_565 .
O8 Gd1 O8 77.20(7) 4_565 .
O1 Gd1 O9 71.84(6) 4_565 .
O1 Gd1 O9 71.84(6) . .
O7 Gd1 O9 125.78(8) . .
O10 Gd1 O9 128.93(8) . .
O6 Gd1 O9 124.61(4) . .
O6 Gd1 O9 124.61(4) 4_565 .
O8 Gd1 O9 64.44(5) 4_565 .
O8 Gd1 O9 64.44(5) . .
O1 Gd1 Na1 108.96(4) 4_565 1_455
O1 Gd1 Na1 108.96(4) . 1_455
O7 Gd1 Na1 76.88(6) . 1_455
O10 Gd1 Na1 177.83(7) . 1_455
O6 Gd1 Na1 110.69(4) . 1_455
O6 Gd1 Na1 110.69(4) 4_565 1_455
O8 Gd1 Na1 39.23(4) 4_565 1_455
O8 Gd1 Na1 39.23(4) . 1_455
O9 Gd1 Na1 48.90(6) . 1_455
O1 Gd1 Na1 40.89(5) 4_565 .
O1 Gd1 Na1 40.89(5) . .
O7 Gd1 Na1 157.57(6) . .
O10 Gd1 Na1 52.28(7) . .
O6 Gd1 Na1 99.03(4) . .
O6 Gd1 Na1 99.03(4) 4_565 .
O8 Gd1 Na1 122.30(4) 4_565 .
O8 Gd1 Na1 122.30(4) . .
O9 Gd1 Na1 76.65(6) . .
Na1 Gd1 Na1 125.56(3) 1_455 .
C2 O2 Na1 106.65(15) . .
C1 O1 Gd1 154.68(16) . .
C1 O1 Na1 103.59(13) . .
Gd1 O1 Na1 101.50(8) . .
Gd1 O6 H6 109.5 . .
Gd1 O10 H10 109.5 . .
Na1 O8 Gd1 101.07(6) 1_455 .
Gd1 O9 Na1 87.79(7) . 1_455
Gd1 O7 H7 109.5 . .
O1 C1 C5 129.24(19) . .
O1 C1 C2 122.9(2) . .
C5 C1 C2 107.8(2) . .
O1 C1 Na1 53.28(13) . .
C5 C1 Na1 157.39(16) . .
C2 C1 Na1 75.39(15) . .
O5 C5 C1 125.8(2) . .
O5 C5 C4 126.5(2) . .
C1 C5 C4 107.7(2) . .
O4 C4 C3 126.1(2) . .
O4 C4 C5 126.2(2) . .
C3 C4 C5 107.7(2) . .
O3 C3 C2 124.8(2) . .
O3 C3 C4 127.3(2) . .
C2 C3 C4 107.77(19) . .
O2 C2 C3 127.8(2) . .
O2 C2 C1 123.6(2) . .
C3 C2 C1 108.4(2) . .
O2 C2 Na1 50.35(13) . .
C3 C2 Na1 163.87(16) . .
C1 C2 Na1 76.99(15) . .
O8 Na1 O8 78.13(8) 1_655 4_665
O8 Na1 O2 87.10(6) 1_655 4_565
O8 Na1 O2 147.32(7) 4_665 4_565
O8 Na1 O2 147.32(7) 1_655 .
O8 Na1 O2 87.10(6) 4_665 .
O2 Na1 O2 90.15(10) 4_565 .
O8 Na1 O1 138.86(7) 1_655 .
O8 Na1 O1 90.11(6) 4_665 .
O2 Na1 O1 119.13(7) 4_565 .
O2 Na1 O1 69.08(6) . .
O8 Na1 O1 90.11(6) 1_655 4_565
O8 Na1 O1 138.86(7) 4_665 4_565
O2 Na1 O1 69.08(6) 4_565 4_565
O2 Na1 O1 119.13(7) . 4_565
O1 Na1 O1 73.16(9) . 4_565
O8 Na1 O9 60.77(6) 1_655 1_655
O8 Na1 O9 60.77(6) 4_665 1_655
O2 Na1 O9 86.57(6) 4_565 1_655
O2 Na1 O9 86.57(6) . 1_655
O1 Na1 O9 143.39(4) . 1_655
O1 Na1 O9 143.39(4) 4_565 1_655
O8 Na1 C2 77.26(6) 1_655 4_565
O8 Na1 C2 154.04(7) 4_665 4_565
O2 Na1 C2 23.00(6) 4_565 4_565
O2 Na1 C2 109.73(8) . 4_565
O1 Na1 C2 114.01(7) . 4_565
O1 Na1 C2 49.32(6) 4_565 4_565
O9 Na1 C2 99.52(5) 1_655 4_565
O8 Na1 C2 154.04(7) 1_655 .
O8 Na1 C2 77.26(6) 4_665 .
O2 Na1 C2 109.73(8) 4_565 .
O2 Na1 C2 23.00(6) . .
O1 Na1 C2 49.32(6) . .
O1 Na1 C2 114.01(7) 4_565 .
O9 Na1 C2 99.52(5) 1_655 .
C2 Na1 C2 125.34(10) 4_565 .
O8 Na1 C1 148.82(7) 1_655 .
O8 Na1 C1 77.81(6) 4_665 .
O2 Na1 C1 123.45(8) 4_565 .
O2 Na1 C1 49.67(6) . .
O1 Na1 C1 23.13(6) . .
O1 Na1 C1 95.11(7) 4_565 .
O9 Na1 C1 121.38(5) 1_655 .
C2 Na1 C1 128.14(7) 4_565 .
C2 Na1 C1 27.61(5) . .
O8 Na1 C1 77.81(6) 1_655 4_565
O8 Na1 C1 148.82(7) 4_665 4_565
O2 Na1 C1 49.67(6) 4_565 4_565
O2 Na1 C1 123.45(8) . 4_565
O1 Na1 C1 95.11(7) . 4_565
O1 Na1 C1 23.13(6) 4_565 4_565
O9 Na1 C1 121.38(5) 1_655 4_565
C2 Na1 C1 27.61(5) 4_565 4_565
C2 Na1 C1 128.14(7) . 4_565
C1 Na1 C1 115.62(9) . 4_565
O8 Na1 Gd1 39.70(4) 1_655 1_655
O8 Na1 Gd1 39.70(4) 4_665 1_655
O2 Na1 Gd1 116.05(5) 4_565 1_655
O2 Na1 Gd1 116.05(5) . 1_655
O1 Na1 Gd1 124.59(5) . 1_655
O1 Na1 Gd1 124.59(5) 4_565 1_655
O9 Na1 Gd1 43.31(6) 1_655 1_655
C2 Na1 Gd1 114.46(5) 4_565 1_655
C2 Na1 Gd1 114.46(5) . 1_655
C1 Na1 Gd1 117.13(5) . 1_655
C1 Na1 Gd1 117.13(5) 4_565 1_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.3845(18) 4_565
Gd1 O1 2.3845(18) .
Gd1 O7 2.410(2) .
Gd1 O10 2.420(3) .
Gd1 O6 2.4577(18) .
Gd1 O6 2.4577(18) 4_565
Gd1 O8 2.4662(16) 4_565
Gd1 O8 2.4662(16) .
Gd1 O9 2.601(3) .
Gd1 Na1 3.7890(13) 1_455
Gd1 Na1 3.8289(13) .
O5 C5 1.252(3) .
O4 C4 1.245(3) .
O3 C3 1.233(3) .
O2 C2 1.256(3) .
O2 Na1 2.475(2) .
O1 C1 1.253(3) .
O1 Na1 2.558(2) .
O6 H6 0.8200 .
O10 H10 0.8200 .
O8 Na1 2.4416(18) 1_455
O9 Na1 2.857(3) 1_455
O7 H7 0.8200 .
C1 C5 1.450(4) .
C1 C2 1.475(3) .
C1 Na1 3.102(3) .
C5 C4 1.487(3) .
C4 C3 1.467(3) .
C3 C2 1.454(4) .
C2 Na1 3.080(3) .
Na1 O8 2.4416(18) 1_655
Na1 O8 2.4416(18) 4_665
Na1 O2 2.475(2) 4_565
Na1 O1 2.558(2) 4_565
Na1 O9 2.857(3) 1_655
Na1 C2 3.080(3) 4_565
Na1 C1 3.102(3) 4_565
Na1 Gd1 3.7890(12) 1_655
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
O1 Gd1 O1 C1 155.9(3) 4_565 .
O7 Gd1 O1 C1 -42.3(4) . .
O10 Gd1 O1 C1 -132.3(4) . .
O6 Gd1 O1 C1 -56.7(3) . .
O6 Gd1 O1 C1 -156.9(3) 4_565 .
O8 Gd1 O1 C1 17.2(3) 4_565 .
O8 Gd1 O1 C1 83.6(4) . .
O9 Gd1 O1 C1 81.7(3) . .
Na1 Gd1 O1 C1 49.3(4) 1_455 .
Na1 Gd1 O1 C1 172.2(4) . .
O1 Gd1 O1 Na1 -16.27(8) 4_565 .
O7 Gd1 O1 Na1 145.54(9) . .
O10 Gd1 O1 Na1 55.58(7) . .
O6 Gd1 O1 Na1 131.14(8) . .
O6 Gd1 O1 Na1 30.98(10) 4_565 .
O8 Gd1 O1 Na1 -154.94(6) 4_565 .
O8 Gd1 O1 Na1 -88.52(9) . .
O9 Gd1 O1 Na1 -90.45(7) . .
Na1 Gd1 O1 Na1 -122.86(5) 1_455 .
O1 Gd1 O8 Na1 -127.41(7) 4_565 1_455
O1 Gd1 O8 Na1 -57.53(10) . 1_455
O7 Gd1 O8 Na1 88.78(6) . 1_455
O10 Gd1 O8 Na1 -176.60(11) . 1_455
O6 Gd1 O8 Na1 58.69(10) . 1_455
O6 Gd1 O8 Na1 161.43(7) 4_565 1_455
O8 Gd1 O8 Na1 12.05(7) 4_565 1_455
O9 Gd1 O8 Na1 -55.50(6) . 1_455
Na1 Gd1 O8 Na1 -108.26(6) . 1_455
O1 Gd1 O9 Na1 137.72(5) 4_565 1_455
O1 Gd1 O9 Na1 -137.72(5) . 1_455
O7 Gd1 O9 Na1 0.0 . 1_455
O10 Gd1 O9 Na1 180.0 . 1_455
O6 Gd1 O9 Na1 -88.15(6) . 1_455
O6 Gd1 O9 Na1 88.15(6) 4_565 1_455
O8 Gd1 O9 Na1 -43.76(4) 4_565 1_455
O8 Gd1 O9 Na1 43.76(4) . 1_455
Na1 Gd1 O9 Na1 180.0 . 1_455
Gd1 O1 C1 C5 36.5(5) . .
Na1 O1 C1 C5 -151.4(2) . .
Gd1 O1 C1 C2 -141.2(3) . .
Na1 O1 C1 C2 30.9(2) . .
Gd1 O1 C1 Na1 -172.1(4) . .
O1 C1 C5 O5 6.5(4) . .
C2 C1 C5 O5 -175.6(2) . .
Na1 C1 C5 O5 -80.9(4) . .
O1 C1 C5 C4 -170.1(2) . .
C2 C1 C5 C4 7.9(2) . .
Na1 C1 C5 C4 102.6(4) . .
O5 C5 C4 O4 -0.5(4) . .
C1 C5 C4 O4 176.0(2) . .
O5 C5 C4 C3 178.1(2) . .
C1 C5 C4 C3 -5.3(2) . .
O4 C4 C3 O3 -5.0(4) . .
C5 C4 C3 O3 176.4(2) . .
O4 C4 C3 C2 179.3(2) . .
C5 C4 C3 C2 0.7(2) . .
Na1 O2 C2 C3 159.4(2) . .
Na1 O2 C2 C1 -25.5(3) . .
O3 C3 C2 O2 4.0(4) . .
C4 C3 C2 O2 179.8(2) . .
O3 C3 C2 C1 -171.7(2) . .
C4 C3 C2 C1 4.2(2) . .
O3 C3 C2 Na1 80.9(6) . .
C4 C3 C2 Na1 -103.2(5) . .
O1 C1 C2 O2 -5.3(4) . .
C5 C1 C2 O2 176.6(2) . .
Na1 C1 C2 O2 19.9(2) . .
O1 C1 C2 C3 170.6(2) . .
C5 C1 C2 C3 -7.5(2) . .
Na1 C1 C2 C3 -164.21(17) . .
O1 C1 C2 Na1 -25.2(2) . .
C5 C1 C2 Na1 156.67(17) . .
C2 O2 Na1 O8 -126.11(16) . 1_655
C2 O2 Na1 O8 -63.53(16) . 4_665
C2 O2 Na1 O2 149.04(13) . 4_565
C2 O2 Na1 O1 27.70(15) . .
C2 O2 Na1 O1 83.08(17) . 4_565
C2 O2 Na1 O9 -124.40(16) . 1_655
C2 O2 Na1 C2 136.71(18) . 4_565
C2 O2 Na1 C1 12.92(14) . .
C2 O2 Na1 C1 109.75(16) . 4_565
C2 O2 Na1 Gd1 -91.61(15) . 1_655
C1 O1 Na1 O8 129.09(14) . 1_655
Gd1 O1 Na1 O8 -54.35(11) . 1_655
C1 O1 Na1 O8 57.18(14) . 4_665
Gd1 O1 Na1 O8 -126.27(6) . 4_665
C1 O1 Na1 O2 -107.56(15) . 4_565
Gd1 O1 Na1 O2 68.99(9) . 4_565
C1 O1 Na1 O2 -29.67(14) . .
Gd1 O1 Na1 O2 146.88(8) . .
C1 O1 Na1 O1 -160.99(12) . 4_565
Gd1 O1 Na1 O1 15.57(8) . 4_565
C1 O1 Na1 O9 21.9(2) . 1_655
Gd1 O1 Na1 O9 -161.56(11) . 1_655
C1 O1 Na1 C2 -132.69(14) . 4_565
Gd1 O1 Na1 C2 43.86(8) . 4_565
C1 O1 Na1 C2 -15.81(13) . .
Gd1 O1 Na1 C2 160.74(9) . .
Gd1 O1 Na1 C1 176.56(17) . .
C1 O1 Na1 C1 -153.61(17) . 4_565
Gd1 O1 Na1 C1 22.95(7) . 4_565
C1 O1 Na1 Gd1 78.24(14) . 1_655
Gd1 O1 Na1 Gd1 -105.21(6) . 1_655
O2 C2 Na1 O8 94.7(2) . 1_655
C3 C2 Na1 O8 4.9(6) . 1_655
C1 C2 Na1 O8 -106.85(19) . 1_655
O2 C2 Na1 O8 113.56(16) . 4_665
C3 C2 Na1 O8 23.7(5) . 4_665
C1 C2 Na1 O8 -88.01(13) . 4_665
O2 C2 Na1 O2 -33.13(15) . 4_565
C3 C2 Na1 O2 -123.0(5) . 4_565
C1 C2 Na1 O2 125.30(13) . 4_565
C3 C2 Na1 O2 -89.9(6) . .
C1 C2 Na1 O2 158.4(2) . .
O2 C2 Na1 O1 -145.07(18) . .
C3 C2 Na1 O1 125.1(6) . .
C1 C2 Na1 O1 13.35(12) . .
O2 C2 Na1 O1 -108.32(16) . 4_565
C3 C2 Na1 O1 161.8(5) . 4_565
C1 C2 Na1 O1 50.10(15) . 4_565
O2 C2 Na1 O9 56.63(16) . 1_655
C3 C2 Na1 O9 -33.2(6) . 1_655
C1 C2 Na1 O9 -144.95(13) . 1_655
O2 C2 Na1 C2 -52.3(2) . 4_565
C3 C2 Na1 C2 -142.2(5) . 4_565
C1 C2 Na1 C2 106.12(14) . 4_565
O2 C2 Na1 C1 -158.4(2) . .
C3 C2 Na1 C1 111.7(6) . .
O2 C2 Na1 C1 -86.78(17) . 4_565
C3 C2 Na1 C1 -176.7(5) . 4_565
C1 C2 Na1 C1 71.64(15) . 4_565
O2 C2 Na1 Gd1 99.38(15) . 1_655
C3 C2 Na1 Gd1 9.5(6) . 1_655
C1 C2 Na1 Gd1 -102.20(13) . 1_655
O1 C1 Na1 O8 -80.47(19) . 1_655
C5 C1 Na1 O8 24.7(5) . 1_655
C2 C1 Na1 O8 126.00(15) . 1_655
O1 C1 Na1 O8 -120.72(15) . 4_665
C5 C1 Na1 O8 -15.5(4) . 4_665
C2 C1 Na1 O8 85.76(13) . 4_665
O1 C1 Na1 O2 86.49(15) . 4_565
C5 C1 Na1 O2 -168.3(4) . 4_565
C2 C1 Na1 O2 -67.04(15) . 4_565
O1 C1 Na1 O2 142.66(17) . .
C5 C1 Na1 O2 -112.2(4) . .
C2 C1 Na1 O2 -10.87(12) . .
C5 C1 Na1 O1 105.2(4) . .
C2 C1 Na1 O1 -153.5(2) . .
O1 C1 Na1 O1 18.24(12) . 4_565
C5 C1 Na1 O1 123.4(4) . 4_565
C2 C1 Na1 O1 -135.28(13) . 4_565
O1 C1 Na1 O9 -164.91(14) . 1_655
C5 C1 Na1 O9 -59.7(4) . 1_655
C2 C1 Na1 O9 41.57(16) . 1_655
O1 C1 Na1 C2 58.61(16) . 4_565
C5 C1 Na1 C2 163.8(4) . 4_565
C2 C1 Na1 C2 -94.92(16) . 4_565
O1 C1 Na1 C2 153.5(2) . .
C5 C1 Na1 C2 -101.3(4) . .
O1 C1 Na1 C1 29.41(18) . 4_565
C5 C1 Na1 C1 134.6(4) . 4_565
C2 C1 Na1 C1 -124.12(13) . 4_565
O1 C1 Na1 Gd1 -115.09(14) . 1_655
C5 C1 Na1 Gd1 -9.9(4) . 1_655
C2 C1 Na1 Gd1 91.39(13) . 1_655
