#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:50:32 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179599 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/63/4506334.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_4506334
loop_
_publ_author_name
'Gu, Jinzhong'
'Gao, Zhuqing'
'Tang, Yu'
_publ_section_title
;
 pH and Auxiliary Ligand Influence on the Structural Variations of
 5(2′-Carboxylphenyl) Nicotate Coordination Polymers
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3312
_journal_paper_doi               10.1021/cg300442b
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C38 H27 Eu N4 O10'
_chemical_formula_weight         851.60
_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                97.073(11)
_cell_angle_beta                 96.666(10)
_cell_angle_gamma                105.301(10)
_cell_formula_units_Z            2
_cell_length_a                   9.172(10)
_cell_length_b                   13.688(15)
_cell_length_c                   14.179(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1683(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0661
_diffrn_reflns_av_sigmaI/netI    0.1093
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11877
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    1.932
_exptl_absorpt_correction_T_max  0.6543
_exptl_absorpt_correction_T_min  0.6138
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.994
_refine_diff_density_min         -1.698
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         6134
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0478
_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)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0873
_reflns_number_gt                4499
_reflns_number_total             6134
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300442b_si_002.cif
_cod_data_source_block           p-1_(Compound_11)
_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.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4506334
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
C12 C 0.3967(6) 0.4226(4) 0.2861(4) 0.0323(15) Uani 1 1 d .
H12 H 0.4316 0.4932 0.3064 0.039 Uiso 1 1 calc R
N1 N 0.2876(6) 0.2137(4) 0.2231(4) 0.0434(14) Uani 1 1 d .
C10 C 0.2159(7) 0.2618(4) 0.2812(4) 0.0374(15) Uani 1 1 d .
H10 H 0.1270 0.2232 0.2993 0.045 Uiso 1 1 calc R
C11 C 0.2653(6) 0.3655(4) 0.3163(4) 0.0310(14) Uani 1 1 d .
O3 O 0.0626(4) 0.3530(3) 0.4073(3) 0.0339(10) Uani 1 1 d .
C13 C 0.1749(7) 0.4126(5) 0.3823(4) 0.0297(14) Uani 1 1 d .
O4 O 0.2189(4) 0.5097(3) 0.4080(3) 0.0366(10) Uani 1 1 d .
Eu1 Eu 0.87258(3) 0.36010(2) 0.51224(2) 0.02745(11) Uani 1 1 d .
C14 C 0.9480(7) 0.2574(4) 0.6647(4) 0.0316(15) Uani 1 1 d .
C1 C 0.7956(6) 0.4510(5) 0.3416(4) 0.0316(15) Uani 1 1 d .
N3 N 0.5822(5) 0.2696(4) 0.5030(3) 0.0339(12) Uani 1 1 d .
O2 O 0.9062(4) 0.5147(3) 0.4017(3) 0.0377(10) Uani 1 1 d .
O5 O 1.0194(4) 0.2547(3) 0.5929(3) 0.0408(11) Uani 1 1 d .
O6 O 0.8318(4) 0.2908(3) 0.6629(3) 0.0361(10) Uani 1 1 d .
C2 C 0.7603(6) 0.4714(4) 0.2422(4) 0.0293(14) Uani 1 1 d .
C39 C 0.6191(7) 0.1215(4) 0.4141(4) 0.0331(15) Uani 1 1 d .
C8 C 0.4750(6) 0.3755(4) 0.2265(4) 0.0284(14) Uani 1 1 d .
C32 C 0.3087(8) 0.0162(5) 0.3999(6) 0.060(2) Uani 1 1 d .
H32 H 0.2057 -0.0186 0.3955 0.072 Uiso 1 1 calc R
C19 C 0.9267(7) 0.2094(4) 0.8290(4) 0.0360(16) Uani 1 1 d .
H19 H 0.8255 0.2113 0.8218 0.043 Uiso 1 1 calc R
C34 C 0.4007(8) -0.0309(5) 0.3585(5) 0.061(2) Uani 1 1 d .
H34 H 0.3607 -0.0979 0.3263 0.074 Uiso 1 1 calc R
C24 C 0.7223(8) 0.0941(5) 1.0884(6) 0.056(2) Uani 1 1 d .
H24 H 0.6436 0.0372 1.0939 0.067 Uiso 1 1 calc R
C31 C 0.5223(7) 0.1721(4) 0.4559(4) 0.0362(16) Uani 1 1 d .
C3 C 0.8818(7) 0.5186(4) 0.1983(4) 0.0362(15) Uani 1 1 d .
H3 H 0.9782 0.5472 0.2349 0.043 Uiso 1 1 calc R
C7 C 0.6142(6) 0.4305(4) 0.1872(4) 0.0290(14) Uani 1 1 d .
C38 C 0.8649(8) 0.1233(5) 0.3876(5) 0.0443(17) Uani 1 1 d .
H38 H 0.9690 0.1569 0.3973 0.053 Uiso 1 1 calc R
N4 N 0.7719(6) 0.1725(3) 0.4242(3) 0.0339(12) Uani 1 1 d .
C27 C 0.4890(7) 0.3158(5) 0.5413(5) 0.0452(17) Uani 1 1 d .
H27 H 0.5297 0.3837 0.5709 0.054 Uiso 1 1 calc R
C9 C 0.4143(7) 0.2706(5) 0.1970(4) 0.0403(16) Uani 1 1 d .
H9 H 0.4652 0.2376 0.1562 0.048 Uiso 1 1 calc R
O1 O 0.7244(5) 0.3675(3) 0.3632(3) 0.0451(12) Uani 1 1 d .
C15 C 1.0108(7) 0.2266(4) 0.7543(4) 0.0344(15) Uani 1 1 d .
C4 C 0.8616(8) 0.5239(5) 0.1011(5) 0.0494(18) Uani 1 1 d .
H4 H 0.9444 0.5550 0.0725 0.059 Uiso 1 1 calc R
C30 C 0.3650(7) 0.1191(5) 0.4511(5) 0.0449(18) Uani 1 1 d .
C28 C 0.3334(7) 0.2701(5) 0.5406(5) 0.0486(18) Uani 1 1 d .
H28 H 0.2730 0.3063 0.5692 0.058 Uiso 1 1 calc R
C5 C 0.7204(8) 0.4835(5) 0.0473(5) 0.0544(19) Uani 1 1 d .
H5 H 0.7066 0.4868 -0.0181 0.065 Uiso 1 1 calc R
C20 C 0.9129(7) 0.1781(5) 0.9998(4) 0.0406(16) Uani 1 1 d .
C29 C 0.2734(7) 0.1713(6) 0.4970(5) 0.053(2) Uani 1 1 d .
H29 H 0.1711 0.1380 0.4975 0.063 Uiso 1 1 calc R
C35 C 0.5604(8) 0.0202(5) 0.3629(5) 0.0440(17) Uani 1 1 d .
C26 C 0.7408(10) -0.0049(6) 0.9365(6) 0.063(2) Uani 1 1 d .
C22 C 0.8820(9) 0.2598(6) 1.1535(5) 0.059(2) Uani 1 1 d .
H22 H 0.9141 0.3154 1.2031 0.071 Uiso 1 1 calc R
C16 C 1.1603(8) 0.2224(5) 0.7695(5) 0.0466(17) Uani 1 1 d .
H16 H 1.2168 0.2337 0.7195 0.056 Uiso 1 1 calc R
C37 C 0.8145(9) 0.0242(5) 0.3357(5) 0.056(2) Uani 1 1 d .
H37 H 0.8832 -0.0068 0.3102 0.067 Uiso 1 1 calc R
C25 C 0.7958(7) 0.0919(5) 1.0075(5) 0.0426(17) Uani 1 1 d .
N2 N 1.2296(7) 0.2037(5) 0.8498(4) 0.0581(16) Uani 1 1 d .
C36 C 0.6623(9) -0.0263(5) 0.3232(5) 0.055(2) Uani 1 1 d .
H36 H 0.6263 -0.0922 0.2880 0.066 Uiso 1 1 calc R
C23 C 0.7632(9) 0.1779(7) 1.1599(5) 0.059(2) Uani 1 1 d .
H23 H 0.7106 0.1787 1.2121 0.070 Uiso 1 1 calc R
O7 O 0.8272(6) -0.0181(3) 0.8742(4) 0.0700(16) Uani 1 1 d .
H7 H 0.7860 -0.0719 0.8372 0.105 Uiso 1 1 calc R
C21 C 0.9551(8) 0.2606(5) 1.0736(5) 0.057(2) Uani 1 1 d .
H21 H 1.0343 0.3178 1.0694 0.068 Uiso 1 1 calc R
C6 C 0.5973(8) 0.4375(5) 0.0903(5) 0.0486(18) Uani 1 1 d .
H6 H 0.5011 0.4107 0.0531 0.058 Uiso 1 1 calc R
O8 O 0.6289(7) -0.0732(5) 0.9473(5) 0.102(2) Uani 1 1 d .
C18 C 0.9942(8) 0.1894(4) 0.9142(4) 0.0386(16) Uani 1 1 d .
C17 C 1.1448(8) 0.1886(5) 0.9206(5) 0.054(2) Uani 1 1 d .
H17 H 1.1913 0.1766 0.9783 0.065 Uiso 1 1 calc R
O10 O 0.3416(11) 0.6259(6) 0.2036(6) 0.186(5) Uani 1 1 d D
H3W H 0.2917 0.6485 0.2408 0.223 Uiso 1 1 d R
H4W H 0.3643 0.6729 0.1727 0.223 Uiso 0.74(17) 1 d PRD
O9 O 0.4590(6) 0.8014(4) 0.1092(4) 0.0934(18) Uiso 1 1 d .
H1W H 0.4417 0.7401 0.0854 0.112 Uiso 1 1 d R
H2W H 0.5517 0.8008 0.1216 0.112 Uiso 1 1 d 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'
Eu Eu -0.1578 3.6682 '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
C8 C12 C11 120.6(5) . .
C8 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C10 N1 C9 117.2(5) . .
N1 C10 C11 124.0(6) . .
N1 C10 H10 118.0 . .
C11 C10 H10 118.0 . .
C10 C11 C12 117.1(6) . .
C10 C11 C13 119.7(5) . .
C12 C11 C13 123.2(5) . .
C13 O3 Eu1 138.8(4) . 1_455
O3 C13 O4 125.1(5) . .
O3 C13 C11 117.2(5) . .
O4 C13 C11 117.6(5) . .
C13 O4 Eu1 138.2(4) . 2_666
O2 Eu1 O4 74.57(15) 2_766 2_666
O2 Eu1 O1 127.67(14) 2_766 .
O4 Eu1 O1 89.84(15) 2_666 .
O2 Eu1 O3 77.50(15) 2_766 1_655
O4 Eu1 O3 136.39(13) 2_666 1_655
O1 Eu1 O3 81.44(16) . 1_655
O2 Eu1 O6 88.60(14) 2_766 .
O4 Eu1 O6 80.92(14) 2_666 .
O1 Eu1 O6 138.67(14) . .
O3 Eu1 O6 131.21(14) 1_655 .
O2 Eu1 O5 77.01(15) 2_766 .
O4 Eu1 O5 125.64(15) 2_666 .
O1 Eu1 O5 143.22(14) . .
O3 Eu1 O5 78.31(15) 1_655 .
O6 Eu1 O5 52.94(14) . .
O2 Eu1 N4 143.50(15) 2_766 .
O4 Eu1 N4 139.92(16) 2_666 .
O1 Eu1 N4 74.52(15) . .
O3 Eu1 N4 78.41(14) 1_655 .
O6 Eu1 N4 87.02(15) . .
O5 Eu1 N4 71.54(15) . .
O2 Eu1 N3 147.34(15) 2_766 .
O4 Eu1 N3 77.00(16) 2_666 .
O1 Eu1 N3 67.44(15) . .
O3 Eu1 N3 135.08(15) 1_655 .
O6 Eu1 N3 71.23(14) . .
O5 Eu1 N3 107.80(15) . .
N4 Eu1 N3 62.94(16) . .
O2 Eu1 O2 77.62(14) 2_766 .
O4 Eu1 O2 73.02(14) 2_666 .
O1 Eu1 O2 50.08(12) . .
O3 Eu1 O2 68.71(13) 1_655 .
O6 Eu1 O2 152.92(12) . .
O5 Eu1 O2 141.87(13) . .
N4 Eu1 O2 117.79(15) . .
N3 Eu1 O2 108.96(13) . .
O2 Eu1 Eu1 42.31(10) 2_766 2_766
O4 Eu1 Eu1 68.98(12) 2_666 2_766
O1 Eu1 Eu1 85.39(10) . 2_766
O3 Eu1 Eu1 67.77(10) 1_655 2_766
O6 Eu1 Eu1 126.81(9) . 2_766
O5 Eu1 Eu1 114.14(12) . 2_766
N4 Eu1 Eu1 142.85(12) . 2_766
N3 Eu1 Eu1 136.24(11) . 2_766
O2 Eu1 Eu1 35.32(8) . 2_766
O6 C14 O5 121.6(5) . .
O6 C14 C15 120.0(6) . .
O5 C14 C15 118.2(6) . .
O1 C1 O2 120.8(5) . .
O1 C1 C2 118.8(5) . .
O2 C1 C2 120.2(5) . .
C27 N3 C31 117.9(5) . .
C27 N3 Eu1 122.3(4) . .
C31 N3 Eu1 119.7(4) . .
C1 O2 Eu1 170.0(4) . 2_766
C1 O2 Eu1 85.4(3) . .
Eu1 O2 Eu1 102.38(14) 2_766 .
C14 O5 Eu1 91.2(3) . .
C14 O6 Eu1 93.1(3) . .
C3 C2 C7 119.3(5) . .
C3 C2 C1 117.8(5) . .
C7 C2 C1 122.1(5) . .
N4 C39 C31 118.4(5) . .
N4 C39 C35 120.9(6) . .
C31 C39 C35 120.7(6) . .
C12 C8 C9 116.6(5) . .
C12 C8 C7 124.7(5) . .
C9 C8 C7 118.5(5) . .
C34 C32 C30 121.6(7) . .
C34 C32 H32 119.2 . .
C30 C32 H32 119.2 . .
C18 C19 C15 119.7(6) . .
C18 C19 H19 120.1 . .
C15 C19 H19 120.1 . .
C32 C34 C35 121.1(7) . .
C32 C34 H34 119.4 . .
C35 C34 H34 119.4 . .
C23 C24 C25 121.8(7) . .
C23 C24 H24 119.1 . .
C25 C24 H24 119.1 . .
N3 C31 C39 119.0(5) . .
N3 C31 C30 121.5(6) . .
C39 C31 C30 119.5(6) . .
C4 C3 C2 121.0(6) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C6 C7 C2 118.4(5) . .
C6 C7 C8 117.6(5) . .
C2 C7 C8 123.9(5) . .
N4 C38 C37 123.4(6) . .
N4 C38 H38 118.3 . .
C37 C38 H38 118.3 . .
C38 N4 C39 118.5(5) . .
C38 N4 Eu1 121.6(4) . .
C39 N4 Eu1 120.0(4) . .
N3 C27 C28 124.8(6) . .
N3 C27 H27 117.6 . .
C28 C27 H27 117.6 . .
N1 C9 C8 124.4(6) . .
N1 C9 H9 117.8 . .
C8 C9 H9 117.8 . .
C1 O1 Eu1 103.1(3) . .
C16 C15 C19 117.2(6) . .
C16 C15 C14 120.9(6) . .
C19 C15 C14 121.7(6) . .
C5 C4 C3 119.9(6) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C29 C30 C31 117.7(6) . .
C29 C30 C32 123.7(7) . .
C31 C30 C32 118.7(7) . .
C29 C28 C27 117.8(7) . .
C29 C28 H28 121.1 . .
C27 C28 H28 121.1 . .
C4 C5 C6 119.8(6) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C21 C20 C25 119.0(6) . .
C21 C20 C18 116.8(6) . .
C25 C20 C18 124.2(6) . .
C28 C29 C30 120.3(6) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C36 C35 C39 118.1(6) . .
C36 C35 C34 123.5(6) . .
C39 C35 C34 118.3(7) . .
O8 C26 O7 122.7(7) . .
O8 C26 C25 120.0(8) . .
O7 C26 C25 116.6(7) . .
C23 C22 C21 120.4(7) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
N2 C16 C15 125.1(7) . .
N2 C16 H16 117.4 . .
C15 C16 H16 117.4 . .
C36 C37 C38 118.6(7) . .
C36 C37 H37 120.7 . .
C38 C37 H37 120.7 . .
C20 C25 C24 118.4(6) . .
C20 C25 C26 125.8(7) . .
C24 C25 C26 115.8(7) . .
C16 N2 C17 115.8(6) . .
C37 C36 C35 120.4(6) . .
C37 C36 H36 119.8 . .
C35 C36 H36 119.8 . .
C22 C23 C24 119.1(7) . .
C22 C23 H23 120.4 . .
C24 C23 H23 120.4 . .
C26 O7 H7 109.5 . .
C20 C21 C22 121.2(7) . .
C20 C21 H21 119.4 . .
C22 C21 H21 119.4 . .
C7 C6 C5 121.5(6) . .
C7 C6 H6 119.2 . .
C5 C6 H6 119.2 . .
C17 C18 C19 117.3(6) . .
C17 C18 C20 120.5(6) . .
C19 C18 C20 122.0(6) . .
N2 C17 C18 124.8(6) . .
N2 C17 H17 117.6 . .
C18 C17 H17 117.6 . .
H3W O10 H4W 101.0 . .
H1W O9 H2W 85.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C12 C8 1.377(8) .
C12 C11 1.398(7) .
C12 H12 0.9300 .
N1 C10 1.329(7) .
N1 C9 1.337(7) .
C10 C11 1.379(7) .
C10 H10 0.9300 .
C11 C13 1.514(8) .
O3 C13 1.251(6) .
O3 Eu1 2.432(4) 1_455
C13 O4 1.275(6) .
O4 Eu1 2.381(4) 2_666
Eu1 O2 2.371(4) 2_766
Eu1 O4 2.381(4) 2_666
Eu1 O1 2.404(4) .
Eu1 O3 2.432(4) 1_655
Eu1 O6 2.470(4) .
Eu1 O5 2.505(4) .
Eu1 N4 2.588(5) .
Eu1 N3 2.604(5) .
Eu1 O2 2.760(4) .
Eu1 Eu1 4.005(4) 2_766
C14 O6 1.264(7) .
C14 O5 1.276(7) .
C14 C15 1.488(8) .
C1 O1 1.251(6) .
C1 O2 1.290(6) .
C1 C2 1.485(8) .
N3 C27 1.317(8) .
N3 C31 1.355(7) .
O2 Eu1 2.371(4) 2_766
C2 C3 1.388(8) .
C2 C7 1.404(7) .
C39 N4 1.372(7) .
C39 C31 1.402(8) .
C39 C35 1.417(8) .
C8 C9 1.386(7) .
C8 C7 1.506(8) .
C32 C34 1.334(10) .
C32 C30 1.434(9) .
C32 H32 0.9300 .
C19 C18 1.384(8) .
C19 C15 1.388(8) .
C19 H19 0.9300 .
C34 C35 1.438(9) .
C34 H34 0.9300 .
C24 C23 1.372(9) .
C24 C25 1.398(9) .
C24 H24 0.9300 .
C31 C30 1.423(8) .
C3 C4 1.382(8) .
C3 H3 0.9300 .
C7 C6 1.382(8) .
C38 N4 1.330(7) .
C38 C37 1.393(8) .
C38 H38 0.9300 .
C27 C28 1.397(8) .
C27 H27 0.9300 .
C9 H9 0.9300 .
C15 C16 1.380(8) .
C4 C5 1.361(8) .
C4 H4 0.9300 .
C30 C29 1.404(9) .
C28 C29 1.355(8) .
C28 H28 0.9300 .
C5 C6 1.387(8) .
C5 H5 0.9300 .
C20 C21 1.379(8) .
C20 C25 1.396(8) .
C20 C18 1.500(8) .
C29 H29 0.9300 .
C35 C36 1.393(9) .
C26 O8 1.231(8) .
C26 O7 1.280(8) .
C26 C25 1.491(9) .
C22 C23 1.362(9) .
C22 C21 1.382(9) .
C22 H22 0.9300 .
C16 N2 1.325(8) .
C16 H16 0.9300 .
C37 C36 1.365(9) .
C37 H37 0.9300 .
N2 C17 1.343(8) .
C36 H36 0.9300 .
C23 H23 0.9300 .
O7 H7 0.8200 .
C21 H21 0.9300 .
C6 H6 0.9300 .
C18 C17 1.377(9) .
C17 H17 0.9300 .
O10 H3W 0.8209 .
O10 H4W 0.8182 .
O9 H1W 0.8308 .
O9 H2W 0.8504 .
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
O9 H2W N2 0.85 2.02 2.869(8) 178.8 2_766
O9 H1W O10 0.83 2.52 2.913(10) 110.3 .
O10 H4W O9 0.82 2.10 2.913(10) 170.1 .
O10 H3W O6 0.82 2.10 2.921(8) 178.7 2_666
O7 H7 N1 0.82 1.93 2.729(7) 164.9 2_656
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
C9 N1 C10 C11 -0.7(9) . .
N1 C10 C11 C12 1.8(9) . .
N1 C10 C11 C13 -180.0(5) . .
C8 C12 C11 C10 -2.3(8) . .
C8 C12 C11 C13 179.5(5) . .
Eu1 O3 C13 O4 -4.1(9) 1_455 .
Eu1 O3 C13 C11 175.9(3) 1_455 .
C10 C11 C13 O3 4.5(8) . .
C12 C11 C13 O3 -177.4(5) . .
C10 C11 C13 O4 -175.5(5) . .
C12 C11 C13 O4 2.7(8) . .
O3 C13 O4 Eu1 -10.3(9) . 2_666
C11 C13 O4 Eu1 169.6(3) . 2_666
O2 Eu1 N3 C27 28.7(6) 2_766 .
O4 Eu1 N3 C27 -1.3(5) 2_666 .
O1 Eu1 N3 C27 -96.6(5) . .
O3 Eu1 N3 C27 -146.5(4) 1_655 .
O6 Eu1 N3 C27 83.4(5) . .
O5 Eu1 N3 C27 122.3(5) . .
N4 Eu1 N3 C27 179.8(5) . .
O2 Eu1 N3 C27 -68.0(5) . .
Eu1 Eu1 N3 C27 -40.7(5) 2_766 .
O2 Eu1 N3 C31 -152.6(4) 2_766 .
O4 Eu1 N3 C31 177.4(4) 2_666 .
O1 Eu1 N3 C31 82.0(4) . .
O3 Eu1 N3 C31 32.2(5) 1_655 .
O6 Eu1 N3 C31 -97.9(4) . .
O5 Eu1 N3 C31 -59.0(4) . .
N4 Eu1 N3 C31 -1.5(4) . .
O2 Eu1 N3 C31 110.7(4) . .
Eu1 Eu1 N3 C31 138.0(4) 2_766 .
O1 C1 O2 Eu1 148.8(18) . 2_766
C2 C1 O2 Eu1 -26(2) . 2_766
O1 C1 O2 Eu1 7.6(5) . .
C2 C1 O2 Eu1 -166.8(5) . .
O2 Eu1 O2 C1 173.6(4) 2_766 .
O4 Eu1 O2 C1 -109.0(3) 2_666 .
O1 Eu1 O2 C1 -4.4(3) . .
O3 Eu1 O2 C1 92.4(3) 1_655 .
O6 Eu1 O2 C1 -125.4(4) . .
O5 Eu1 O2 C1 124.3(3) . .
N4 Eu1 O2 C1 29.1(4) . .
N3 Eu1 O2 C1 -39.7(3) . .
Eu1 Eu1 O2 C1 173.6(4) 2_766 .
O2 Eu1 O2 Eu1 0.0 2_766 2_766
O4 Eu1 O2 Eu1 77.42(16) 2_666 2_766
O1 Eu1 O2 Eu1 -178.0(2) . 2_766
O3 Eu1 O2 Eu1 -81.24(16) 1_655 2_766
O6 Eu1 O2 Eu1 61.0(3) . 2_766
O5 Eu1 O2 Eu1 -49.3(2) . 2_766
N4 Eu1 O2 Eu1 -144.55(16) . 2_766
N3 Eu1 O2 Eu1 146.72(15) . 2_766
O6 C14 O5 Eu1 10.6(5) . .
C15 C14 O5 Eu1 -165.5(4) . .
O2 Eu1 O5 C14 92.5(3) 2_766 .
O4 Eu1 O5 C14 32.6(4) 2_666 .
O1 Eu1 O5 C14 -129.9(3) . .
O3 Eu1 O5 C14 172.1(3) 1_655 .
O6 Eu1 O5 C14 -5.7(3) . .
N4 Eu1 O5 C14 -106.3(3) . .
N3 Eu1 O5 C14 -54.0(3) . .
O2 Eu1 O5 C14 141.9(3) . .
Eu1 Eu1 O5 C14 113.2(3) 2_766 .
O5 C14 O6 Eu1 -10.7(5) . .
C15 C14 O6 Eu1 165.2(4) . .
O2 Eu1 O6 C14 -68.9(3) 2_766 .
O4 Eu1 O6 C14 -143.5(3) 2_666 .
O1 Eu1 O6 C14 137.2(3) . .
O3 Eu1 O6 C14 3.1(4) 1_655 .
O5 Eu1 O6 C14 5.8(3) . .
N4 Eu1 O6 C14 74.8(3) . .
N3 Eu1 O6 C14 137.2(3) . .
O2 Eu1 O6 C14 -127.7(3) . .
Eu1 Eu1 O6 C14 -88.5(3) 2_766 .
O1 C1 C2 C3 -139.2(6) . .
O2 C1 C2 C3 35.3(8) . .
O1 C1 C2 C7 30.5(8) . .
O2 C1 C2 C7 -155.0(5) . .
C11 C12 C8 C9 1.7(8) . .
C11 C12 C8 C7 177.8(5) . .
C30 C32 C34 C35 -0.5(12) . .
C27 N3 C31 C39 179.6(5) . .
Eu1 N3 C31 C39 0.9(7) . .
C27 N3 C31 C30 -2.7(8) . .
Eu1 N3 C31 C30 178.6(4) . .
N4 C39 C31 N3 1.1(8) . .
C35 C39 C31 N3 -179.0(5) . .
N4 C39 C31 C30 -176.6(5) . .
C35 C39 C31 C30 3.3(9) . .
C7 C2 C3 C4 -1.5(9) . .
C1 C2 C3 C4 168.5(5) . .
C3 C2 C7 C6 1.0(8) . .
C1 C2 C7 C6 -168.6(6) . .
C3 C2 C7 C8 178.5(5) . .
C1 C2 C7 C8 8.9(9) . .
C12 C8 C7 C6 -108.5(7) . .
C9 C8 C7 C6 67.5(7) . .
C12 C8 C7 C2 74.0(8) . .
C9 C8 C7 C2 -110.0(6) . .
C37 C38 N4 C39 3.0(9) . .
C37 C38 N4 Eu1 -176.8(5) . .
C31 C39 N4 C38 177.6(5) . .
C35 C39 N4 C38 -2.3(8) . .
C31 C39 N4 Eu1 -2.6(7) . .
C35 C39 N4 Eu1 177.5(4) . .
O2 Eu1 N4 C38 -24.1(6) 2_766 .
O4 Eu1 N4 C38 -179.8(4) 2_666 .
O1 Eu1 N4 C38 109.7(5) . .
O3 Eu1 N4 C38 25.5(4) 1_655 .
O6 Eu1 N4 C38 -107.7(4) . .
O5 Eu1 N4 C38 -55.9(4) . .
N3 Eu1 N4 C38 -178.1(5) . .
O2 Eu1 N4 C38 83.7(5) . .
Eu1 Eu1 N4 C38 50.0(5) 2_766 .
O2 Eu1 N4 C39 156.1(4) 2_766 .
O4 Eu1 N4 C39 0.4(5) 2_666 .
O1 Eu1 N4 C39 -70.1(4) . .
O3 Eu1 N4 C39 -154.3(4) 1_655 .
O6 Eu1 N4 C39 72.5(4) . .
O5 Eu1 N4 C39 124.3(4) . .
N3 Eu1 N4 C39 2.1(4) . .
O2 Eu1 N4 C39 -96.1(4) . .
Eu1 Eu1 N4 C39 -129.9(4) 2_766 .
C31 N3 C27 C28 3.0(9) . .
Eu1 N3 C27 C28 -178.3(5) . .
C10 N1 C9 C8 0.1(9) . .
C12 C8 C9 N1 -0.6(9) . .
C7 C8 C9 N1 -176.9(5) . .
O2 C1 O1 Eu1 -8.9(6) . .
C2 C1 O1 Eu1 165.5(4) . .
O2 Eu1 O1 C1 2.2(4) 2_766 .
O4 Eu1 O1 C1 72.4(4) 2_666 .
O3 Eu1 O1 C1 -64.7(4) 1_655 .
O6 Eu1 O1 C1 148.4(3) . .
O5 Eu1 O1 C1 -121.8(4) . .
N4 Eu1 O1 C1 -145.0(4) . .
N3 Eu1 O1 C1 148.4(4) . .
O2 Eu1 O1 C1 4.6(3) . .
Eu1 Eu1 O1 C1 3.5(4) 2_766 .
C18 C19 C15 C16 0.1(8) . .
C18 C19 C15 C14 -174.5(5) . .
O6 C14 C15 C16 -158.6(5) . .
O5 C14 C15 C16 17.5(8) . .
O6 C14 C15 C19 15.9(8) . .
O5 C14 C15 C19 -168.0(5) . .
C2 C3 C4 C5 0.9(10) . .
N3 C31 C30 C29 0.0(9) . .
C39 C31 C30 C29 177.7(5) . .
N3 C31 C30 C32 179.9(5) . .
C39 C31 C30 C32 -2.4(9) . .
C34 C32 C30 C29 -179.0(7) . .
C34 C32 C30 C31 1.1(10) . .
N3 C27 C28 C29 -0.4(10) . .
C3 C4 C5 C6 0.2(10) . .
C27 C28 C29 C30 -2.4(10) . .
C31 C30 C29 C28 2.6(9) . .
C32 C30 C29 C28 -177.3(6) . .
N4 C39 C35 C36 0.1(9) . .
C31 C39 C35 C36 -179.7(6) . .
N4 C39 C35 C34 177.2(5) . .
C31 C39 C35 C34 -2.7(9) . .
C32 C34 C35 C36 178.2(7) . .
C32 C34 C35 C39 1.3(10) . .
C19 C15 C16 N2 -0.3(10) . .
C14 C15 C16 N2 174.4(6) . .
N4 C38 C37 C36 -1.5(10) . .
C21 C20 C25 C24 2.2(9) . .
C18 C20 C25 C24 -175.6(6) . .
C21 C20 C25 C26 -177.4(6) . .
C18 C20 C25 C26 4.8(10) . .
C23 C24 C25 C20 -0.5(10) . .
C23 C24 C25 C26 179.1(6) . .
O8 C26 C25 C20 -174.6(7) . .
O7 C26 C25 C20 15.1(11) . .
O8 C26 C25 C24 5.8(11) . .
O7 C26 C25 C24 -164.5(7) . .
C15 C16 N2 C17 -0.4(10) . .
C38 C37 C36 C35 -0.9(10) . .
C39 C35 C36 C37 1.5(10) . .
C34 C35 C36 C37 -175.4(6) . .
C21 C22 C23 C24 3.3(10) . .
C25 C24 C23 C22 -2.2(10) . .
C25 C20 C21 C22 -1.1(10) . .
C18 C20 C21 C22 176.9(6) . .
C23 C22 C21 C20 -1.7(11) . .
C2 C7 C6 C5 0.0(10) . .
C8 C7 C6 C5 -177.7(6) . .
C4 C5 C6 C7 -0.6(11) . .
C15 C19 C18 C17 0.6(8) . .
C15 C19 C18 C20 175.3(5) . .
C21 C20 C18 C17 71.7(8) . .
C25 C20 C18 C17 -110.4(7) . .
C21 C20 C18 C19 -102.8(7) . .
C25 C20 C18 C19 75.1(8) . .
C16 N2 C17 C18 1.2(10) . .
C19 C18 C17 N2 -1.4(10) . .
C20 C18 C17 N2 -176.1(6) . .
