#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/27/7022777.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_7022777
loop_
_publ_author_name
'Feng, Xun'
'Feng, Yu-Quan'
'Liu, Lang'
'Wang, Li-Ya'
'Song, Hong-Liang'
'Ng, Seik-Weng'
_publ_section_title
;
 A series of Zn-4f heterometallic coordination polymers and a zinc complex
 containing a flexible mixed donor dicarboxylate ligand.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7741
_journal_page_last               7754
_journal_paper_doi               10.1039/c3dt33002h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C26 H16 Cl Er N O11 Zn'
_chemical_formula_weight         800.48
_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                106.3450(10)
_cell_angle_beta                 108.0720(10)
_cell_angle_gamma                83.8620(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6121(8)
_cell_length_b                   12.8091(11)
_cell_length_c                   12.4524(10)
_cell_measurement_temperature    296(2)
_cell_volume                     1398.3(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 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0129
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10444
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    3.997
_exptl_absorpt_correction_T_max  0.5855
_exptl_absorpt_correction_T_min  0.5020
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.582
_refine_diff_density_min         -0.824
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.00048(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         5175
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0191
_refine_ls_R_factor_gt           0.0179
_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)+(0.0253P)²+1.2045P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0467
_refine_ls_wR_factor_ref         0.0472
_reflns_number_gt                4956
_reflns_number_total             5175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt33002h.txt
_cod_data_source_block           er-zn
_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 2.4.2 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-1
_cod_original_formula_sum        'C26 H16 Cl1 Er N O11 Zn'
_cod_database_code               7022777
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
Er1 Er 0.791422(11) 0.031071(9) 0.526316(9) 0.02110(5) Uani 1 1 d .
Zn1 Zn 0.66243(4) 0.30702(3) 0.34852(3) 0.03756(9) Uani 1 1 d .
O1 O 0.8095(3) 0.33253(18) 0.5020(2) 0.0493(6) Uani 1 1 d .
O2 O 0.7540(2) 0.21499(17) 0.5840(2) 0.0389(5) Uani 1 1 d .
O3 O 1.02298(19) 0.10558(14) 0.55672(16) 0.0271(4) Uani 1 1 d .
O4 O 1.2462(2) 0.15332(16) 0.58285(18) 0.0334(4) Uani 1 1 d .
O5 O 0.8134(2) 0.46435(18) 0.7713(2) 0.0447(5) Uani 1 1 d .
O6 O 0.6030(2) 0.15898(16) 0.25088(17) 0.0367(5) Uani 1 1 d .
O7 O 0.78524(18) 0.06947(15) 0.35119(15) 0.0268(4) Uani 1 1 d .
O8 O 0.54765(18) 0.03851(16) 0.41920(15) 0.0280(4) Uani 1 1 d .
C21 C 0.4528(3) -0.0210(2) 0.3378(2) 0.0254(5) Uani 1 1 d .
O10 O 0.7241(3) -0.02940(17) 0.0650(2) 0.0437(5) Uani 1 1 d .
O11 O 0.9472(2) -0.0309(2) 0.6773(2) 0.0570(7) Uani 1 1 d .
H1W H 0.9268 -0.0390 0.7336 0.085 Uiso 1 1 d R
H2W H 1.0505 -0.0313 0.6885 0.085 Uiso 1 1 d R
N1 N 0.5419(3) 0.6401(2) 0.6377(3) 0.0453(7) Uani 1 1 d .
N2 N 0.9251(3) -0.1111(2) -0.1468(2) 0.0451(7) Uani 1 1 d .
Cl1 Cl 0.73408(11) 0.39862(8) 0.24981(9) 0.0590(2) Uani 1 1 d .
C1 C 1.0723(4) 0.4590(3) 0.8675(3) 0.0443(8) Uani 1 1 d .
H1A H 1.0605 0.5187 0.9273 0.053 Uiso 1 1 calc R
C2 C 0.9647(3) 0.3257(2) 0.6854(2) 0.0280(6) Uani 1 1 d .
C3 C 1.1042(3) 0.2770(2) 0.6915(2) 0.0270(5) Uani 1 1 d .
C4 C 1.2255(3) 0.3217(2) 0.7837(3) 0.0348(6) Uani 1 1 d .
H4 H 1.3183 0.2912 0.7857 0.042 Uiso 1 1 calc R
C5 C 1.2087(4) 0.4110(3) 0.8720(3) 0.0438(7) Uani 1 1 d .
H5 H 1.2894 0.4389 0.9346 0.053 Uiso 1 1 calc R
C6 C 0.9526(3) 0.4176(2) 0.7730(3) 0.0344(6) Uani 1 1 d .
C7 C 0.8316(3) 0.2865(2) 0.5827(3) 0.0318(6) Uani 1 1 d .
C8 C 1.1253(3) 0.1739(2) 0.6046(2) 0.0253(5) Uani 1 1 d .
C9 C 0.6123(3) 0.5679(2) 0.6968(3) 0.0405(7) Uani 1 1 d .
H9 H 0.5625 0.5373 0.7333 0.049 Uiso 1 1 calc R
C10 C 0.7565(3) 0.5376(2) 0.7052(3) 0.0387(7) Uani 1 1 d .
C11 C 0.8319(4) 0.5816(3) 0.6501(4) 0.0529(9) Uani 1 1 d .
H11 H 0.9292 0.5623 0.6546 0.063 Uiso 1 1 calc R
C12 C 0.7581(4) 0.6546(4) 0.5890(4) 0.0674(12) Uani 1 1 d .
H12 H 0.8053 0.6851 0.5506 0.081 Uiso 1 1 calc R
C13 C 0.6138(5) 0.6832(3) 0.5840(4) 0.0612(10) Uani 1 1 d .
H13 H 0.5655 0.7333 0.5427 0.073 Uiso 1 1 calc R
C14 C 0.6248(3) -0.0828(2) 0.0908(2) 0.0308(6) Uani 1 1 d .
C15 C 0.5927(3) -0.0316(2) 0.1956(2) 0.0240(5) Uani 1 1 d .
C16 C 0.4884(3) -0.0768(2) 0.2249(2) 0.0265(5) Uani 1 1 d .
C17 C 0.4169(3) -0.1707(2) 0.1504(3) 0.0341(6) Uani 1 1 d .
H17 H 0.3476 -0.2008 0.1703 0.041 Uiso 1 1 calc R
C18 C 0.4497(3) -0.2194(3) 0.0460(3) 0.0391(7) Uani 1 1 d .
H18 H 0.4013 -0.2818 -0.0042 0.047 Uiso 1 1 calc R
C19 C 0.5538(3) -0.1757(3) 0.0158(2) 0.0370(7) Uani 1 1 d .
H19 H 0.5754 -0.2086 -0.0540 0.044 Uiso 1 1 calc R
C20 C 0.6659(3) 0.0733(2) 0.2724(2) 0.0235(5) Uani 1 1 d .
O9 O 0.32731(19) -0.03512(18) 0.34129(16) 0.0348(5) Uani 1 1 d .
C22 C 0.8294(3) -0.0632(3) -0.0894(3) 0.0360(7) Uani 1 1 d .
H22 H 0.7671 -0.0088 -0.1152 0.043 Uiso 1 1 calc R
C23 C 0.8193(3) -0.0916(2) 0.0070(2) 0.0316(6) Uani 1 1 d .
C24 C 0.9113(4) -0.1719(3) 0.0470(3) 0.0450(8) Uani 1 1 d .
H24 H 0.9064 -0.1924 0.1116 0.054 Uiso 1 1 calc R
C25 C 1.0107(4) -0.2206(3) -0.0125(3) 0.0510(9) Uani 1 1 d .
H25 H 1.0752 -0.2746 0.0120 0.061 Uiso 1 1 calc R
C26 C 1.0137(4) -0.1886(3) -0.1087(3) 0.0486(8) Uani 1 1 d .
H26 H 1.0806 -0.2226 -0.1485 0.058 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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O9 Er1 O2 81.55(8) 2_656 .
O9 Er1 O11 70.92(7) 2_656 .
O2 Er1 O11 110.82(9) . .
O9 Er1 O8 77.26(6) 2_656 .
O2 Er1 O8 81.82(7) . .
O11 Er1 O8 143.07(7) . .
O9 Er1 O7 147.76(6) 2_656 .
O2 Er1 O7 82.54(7) . .
O11 Er1 O7 141.24(6) . .
O8 Er1 O7 72.85(6) . .
O9 Er1 O4 99.05(7) 2_656 2_756
O2 Er1 O4 160.29(7) . 2_756
O11 Er1 O4 87.70(9) . 2_756
O8 Er1 O4 79.13(7) . 2_756
O7 Er1 O4 87.03(7) . 2_756
O9 Er1 O3 129.13(6) 2_656 .
O2 Er1 O3 75.75(6) . .
O11 Er1 O3 75.68(7) . .
O8 Er1 O3 140.85(6) . .
O7 Er1 O3 72.75(6) . .
O4 Er1 O3 116.95(6) 2_756 .
O9 Er1 O3 133.52(7) 2_656 2_756
O2 Er1 O3 138.64(6) . 2_756
O11 Er1 O3 72.23(7) . 2_756
O8 Er1 O3 121.55(6) . 2_756
O7 Er1 O3 74.35(6) . 2_756
O4 Er1 O3 52.12(6) 2_756 2_756
O3 Er1 O3 64.92(7) . 2_756
O9 Er1 C8 119.23(8) 2_656 2_756
O2 Er1 C8 159.06(8) . 2_756
O11 Er1 C8 80.79(9) . 2_756
O8 Er1 C8 99.42(7) . 2_756
O7 Er1 C8 77.95(7) . 2_756
O4 Er1 C8 25.82(7) 2_756 2_756
O3 Er1 C8 91.13(7) . 2_756
O3 Er1 C8 26.42(6) 2_756 2_756
O1 Zn1 O6 122.09(9) . .
O1 Zn1 N1 111.72(11) . 2_666
O6 Zn1 N1 95.68(10) . 2_666
O1 Zn1 Cl1 105.83(8) . .
O6 Zn1 Cl1 110.78(7) . .
N1 Zn1 Cl1 110.34(8) 2_666 .
C7 O1 Zn1 130.8(2) . .
C7 O2 Er1 126.34(17) . .
C8 O3 Er1 155.88(17) . .
C8 O3 Er1 87.88(15) . 2_756
Er1 O3 Er1 115.08(7) . 2_756
C8 O4 Er1 98.99(16) . 2_756
C10 O5 C6 119.1(2) . .
C20 O6 Zn1 124.45(18) . .
C20 O7 Er1 121.31(15) . .
C21 O8 Er1 139.84(17) . .
O9 C21 O8 124.8(2) . .
O9 C21 C16 116.7(2) . .
O8 C21 C16 118.4(2) . .
C23 O10 C14 118.4(2) . .
Er1 O11 H1W 126.1 . .
Er1 O11 H2W 118.8 . .
H1W O11 H2W 113.2 . .
C9 N1 C13 118.9(3) . .
C9 N1 Zn1 117.5(2) . 2_666
C13 N1 Zn1 123.2(2) . 2_666
C26 N2 C22 118.2(3) . .
C5 C1 C6 119.5(3) . .
C5 C1 H1A 120.3 . .
C6 C1 H1A 120.3 . .
C6 C2 C3 118.1(3) . .
C6 C2 C7 119.4(2) . .
C3 C2 C7 122.4(2) . .
C4 C3 C2 120.0(3) . .
C4 C3 C8 118.5(2) . .
C2 C3 C8 121.4(2) . .
C5 C4 C3 120.4(3) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C1 C5 C4 120.1(3) . .
C1 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C2 C6 C1 121.8(3) . .
C2 C6 O5 118.9(3) . .
C1 C6 O5 119.1(3) . .
O2 C7 O1 125.8(3) . .
O2 C7 C2 120.0(3) . .
O1 C7 C2 114.2(3) . .
O4 C8 O3 120.4(2) . .
O4 C8 C3 119.8(2) . .
O3 C8 C3 119.7(2) . .
O4 C8 Er1 55.19(14) . 2_756
O3 C8 Er1 65.70(14) . 2_756
C3 C8 Er1 169.37(17) . 2_756
N1 C9 C10 122.0(3) . .
N1 C9 H9 119.0 . .
C10 C9 H9 119.0 . .
C9 C10 O5 114.7(3) . .
C9 C10 C11 119.6(3) . .
O5 C10 C11 125.7(3) . .
C12 C11 C10 117.8(3) . .
C12 C11 H11 121.1 . .
C10 C11 H11 121.1 . .
C11 C12 C13 120.4(4) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
N1 C13 C12 121.3(3) . .
N1 C13 H13 119.3 . .
C12 C13 H13 119.3 . .
C19 C14 O10 123.3(2) . .
C19 C14 C15 121.2(3) . .
O10 C14 C15 115.3(3) . .
C16 C15 C14 118.9(3) . .
C16 C15 C20 121.1(2) . .
C14 C15 C20 120.0(2) . .
C17 C16 C15 120.4(2) . .
C17 C16 C21 120.7(2) . .
C15 C16 C21 118.9(2) . .
C16 C17 C18 119.6(3) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C19 C18 C17 120.7(3) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C14 C19 C18 119.2(3) . .
C14 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
O6 C20 O7 124.7(3) . .
O6 C20 C15 116.2(2) . .
O7 C20 C15 119.1(2) . .
C21 O9 Er1 139.83(17) . 2_656
N2 C22 C23 122.3(3) . .
N2 C22 H22 118.8 . .
C23 C22 H22 118.8 . .
C24 C23 C22 119.7(3) . .
C24 C23 O10 123.4(3) . .
C22 C23 O10 116.7(3) . .
C25 C24 C23 117.6(3) . .
C25 C24 H24 121.2 . .
C23 C24 H24 121.2 . .
C24 C25 C26 119.4(3) . .
C24 C25 H25 120.3 . .
C26 C25 H25 120.3 . .
N2 C26 C25 122.8(3) . .
N2 C26 H26 118.6 . .
C25 C26 H26 118.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O9 2.2650(18) 2_656
Er1 O2 2.285(2) .
Er1 O11 2.290(2) .
Er1 O8 2.3159(17) .
Er1 O7 2.3490(17) .
Er1 O4 2.372(2) 2_756
Er1 O3 2.3951(17) .
Er1 O3 2.6026(17) 2_756
Er1 C8 2.854(3) 2_756
Zn1 O1 1.957(2) .
Zn1 O6 1.976(2) .
Zn1 N1 2.050(3) 2_666
Zn1 Cl1 2.2073(10) .
O1 C7 1.256(4) .
O2 C7 1.248(4) .
O3 C8 1.271(3) .
O3 Er1 2.6026(17) 2_756
O4 C8 1.258(3) .
O4 Er1 2.372(2) 2_756
O5 C10 1.379(4) .
O5 C6 1.403(3) .
O6 C20 1.251(3) .
O7 C20 1.264(3) .
O8 C21 1.257(3) .
C21 O9 1.254(3) .
C21 C16 1.512(4) .
O10 C23 1.387(3) .
O10 C14 1.392(3) .
O11 H1W 0.8188 .
O11 H2W 0.9582 .
N1 C9 1.340(4) .
N1 C13 1.343(5) .
N1 Zn1 2.050(3) 2_666
N2 C26 1.330(4) .
N2 C22 1.332(4) .
C1 C5 1.379(5) .
C1 C6 1.389(5) .
C1 H1A 0.9300 .
C2 C6 1.384(4) .
C2 C3 1.406(4) .
C2 C7 1.511(4) .
C3 C4 1.396(4) .
C3 C8 1.493(4) .
C4 C5 1.381(4) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C8 Er1 2.854(3) 2_756
C9 C10 1.378(4) .
C9 H9 0.9300 .
C10 C11 1.389(5) .
C11 C12 1.372(5) .
C11 H11 0.9300 .
C12 C13 1.383(5) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C19 1.381(4) .
C14 C15 1.397(4) .
C15 C16 1.394(4) .
C15 C20 1.509(4) .
C16 C17 1.390(4) .
C17 C18 1.392(4) .
C17 H17 0.9300 .
C18 C19 1.387(4) .
C18 H18 0.9300 .
C19 H19 0.9300 .
O9 Er1 2.2650(18) 2_656
C22 C23 1.382(4) .
C22 H22 0.9300 .
C23 C24 1.382(4) .
C24 C25 1.379(5) .
C24 H24 0.9300 .
C25 C26 1.380(5) .
C25 H25 0.9300 .
C26 H26 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
O11 H1W N2 0.82 1.97 2.739(3) 157.0 1_556
O11 H2W O7 0.96 1.78 2.680(3) 155.6 2_756
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
O6 Zn1 O1 C7 -39.9(3) . .
N1 Zn1 O1 C7 72.2(3) 2_666 .
Cl1 Zn1 O1 C7 -167.7(3) . .
O9 Er1 O2 C7 152.3(2) 2_656 .
O11 Er1 O2 C7 86.5(2) . .
O8 Er1 O2 C7 -129.4(2) . .
O7 Er1 O2 C7 -55.8(2) . .
O4 Er1 O2 C7 -114.4(3) 2_756 .
O3 Er1 O2 C7 18.2(2) . .
O3 Er1 O2 C7 0.1(3) 2_756 .
C8 Er1 O2 C7 -34.4(4) 2_756 .
O9 Er1 O3 C8 -34.2(4) 2_656 .
O2 Er1 O3 C8 32.1(4) . .
O11 Er1 O3 C8 -84.2(4) . .
O8 Er1 O3 C8 89.1(4) . .
O7 Er1 O3 C8 118.6(4) . .
O4 Er1 O3 C8 -164.0(4) 2_756 .
O3 Er1 O3 C8 -161.0(4) 2_756 .
C8 Er1 O3 C8 -164.4(4) 2_756 .
O9 Er1 O3 Er1 126.82(9) 2_656 2_756
O2 Er1 O3 Er1 -166.89(10) . 2_756
O11 Er1 O3 Er1 76.80(10) . 2_756
O8 Er1 O3 Er1 -109.88(10) . 2_756
O7 Er1 O3 Er1 -80.41(8) . 2_756
O4 Er1 O3 Er1 -3.05(10) 2_756 2_756
O3 Er1 O3 Er1 0.0 2_756 2_756
C8 Er1 O3 Er1 -3.40(8) 2_756 2_756
O1 Zn1 O6 C20 -9.2(3) . .
N1 Zn1 O6 C20 -129.3(2) 2_666 .
Cl1 Zn1 O6 C20 116.4(2) . .
O9 Er1 O7 C20 -26.1(3) 2_656 .
O2 Er1 O7 C20 -87.09(19) . .
O11 Er1 O7 C20 158.7(2) . .
O8 Er1 O7 C20 -3.39(19) . .
O4 Er1 O7 C20 76.15(19) 2_756 .
O3 Er1 O7 C20 -164.4(2) . .
O3 Er1 O7 C20 127.5(2) 2_756 .
C8 Er1 O7 C20 100.6(2) 2_756 .
O9 Er1 O8 C21 -109.1(3) 2_656 .
O2 Er1 O8 C21 167.7(3) . .
O11 Er1 O8 C21 -78.3(3) . .
O7 Er1 O8 C21 83.1(2) . .
O4 Er1 O8 C21 -7.2(2) 2_756 .
O3 Er1 O8 C21 112.5(3) . .
O3 Er1 O8 C21 24.5(3) 2_756 .
C8 Er1 O8 C21 8.9(3) 2_756 .
Er1 O8 C21 O9 129.6(2) . .
Er1 O8 C21 C16 -52.9(4) . .
C6 C2 C3 C4 -0.4(4) . .
C7 C2 C3 C4 174.9(3) . .
C6 C2 C3 C8 176.2(2) . .
C7 C2 C3 C8 -8.4(4) . .
C2 C3 C4 C5 2.8(4) . .
C8 C3 C4 C5 -173.9(3) . .
C6 C1 C5 C4 -0.7(5) . .
C3 C4 C5 C1 -2.3(5) . .
C3 C2 C6 C1 -2.6(4) . .
C7 C2 C6 C1 -178.0(3) . .
C3 C2 C6 O5 -177.1(2) . .
C7 C2 C6 O5 7.4(4) . .
C5 C1 C6 C2 3.1(5) . .
C5 C1 C6 O5 177.6(3) . .
C10 O5 C6 C2 -85.2(3) . .
C10 O5 C6 C1 100.1(3) . .
Er1 O2 C7 O1 94.8(3) . .
Er1 O2 C7 C2 -85.9(3) . .
Zn1 O1 C7 O2 -4.7(5) . .
Zn1 O1 C7 C2 175.9(2) . .
C6 C2 C7 O2 -94.5(3) . .
C3 C2 C7 O2 90.2(3) . .
C6 C2 C7 O1 84.9(3) . .
C3 C2 C7 O1 -90.4(3) . .
Er1 O4 C8 O3 -8.1(3) 2_756 .
Er1 O4 C8 C3 168.91(19) 2_756 .
Er1 O3 C8 O4 170.1(3) . .
Er1 O3 C8 O4 7.3(2) 2_756 .
Er1 O3 C8 C3 -6.9(5) . .
Er1 O3 C8 C3 -169.7(2) 2_756 .
Er1 O3 C8 Er1 162.8(4) . 2_756
C4 C3 C8 O4 -29.9(4) . .
C2 C3 C8 O4 153.4(2) . .
C4 C3 C8 O3 147.1(3) . .
C2 C3 C8 O3 -29.6(4) . .
C4 C3 C8 Er1 29.0(11) . 2_756
C2 C3 C8 Er1 -147.7(9) . 2_756
C13 N1 C9 C10 0.8(5) . .
Zn1 N1 C9 C10 -171.8(2) 2_666 .
N1 C9 C10 O5 178.6(3) . .
N1 C9 C10 C11 -0.7(5) . .
C6 O5 C10 C9 171.8(3) . .
C6 O5 C10 C11 -8.9(5) . .
C9 C10 C11 C12 0.0(6) . .
O5 C10 C11 C12 -179.2(4) . .
C10 C11 C12 C13 0.6(7) . .
C9 N1 C13 C12 -0.1(6) . .
Zn1 N1 C13 C12 172.0(3) 2_666 .
C11 C12 C13 N1 -0.5(7) . .
C23 O10 C14 C19 -38.6(4) . .
C23 O10 C14 C15 145.9(3) . .
C19 C14 C15 C16 1.0(4) . .
O10 C14 C15 C16 176.6(2) . .
C19 C14 C15 C20 -176.5(2) . .
O10 C14 C15 C20 -0.9(4) . .
C14 C15 C16 C17 -0.6(4) . .
C20 C15 C16 C17 176.9(2) . .
C14 C15 C16 C21 -179.6(2) . .
C20 C15 C16 C21 -2.1(4) . .
O9 C21 C16 C17 -25.8(4) . .
O8 C21 C16 C17 156.5(3) . .
O9 C21 C16 C15 153.1(2) . .
O8 C21 C16 C15 -24.6(4) . .
C15 C16 C17 C18 -0.2(4) . .
C21 C16 C17 C18 178.8(3) . .
C16 C17 C18 C19 0.5(4) . .
O10 C14 C19 C18 -175.9(3) . .
C15 C14 C19 C18 -0.7(4) . .
C17 C18 C19 C14 -0.1(5) . .
Zn1 O6 C20 O7 -8.6(4) . .
Zn1 O6 C20 C15 172.73(16) . .
Er1 O7 C20 O6 105.4(3) . .
Er1 O7 C20 C15 -75.9(2) . .
C16 C15 C20 O6 -89.2(3) . .
C14 C15 C20 O6 88.3(3) . .
C16 C15 C20 O7 92.0(3) . .
C14 C15 C20 O7 -90.5(3) . .
O8 C21 O9 Er1 -26.6(5) . 2_656
C16 C21 O9 Er1 155.8(2) . 2_656
C26 N2 C22 C23 -0.2(5) . .
N2 C22 C23 C24 0.3(5) . .
N2 C22 C23 O10 174.6(3) . .
C14 O10 C23 C24 -55.0(4) . .
C14 O10 C23 C22 131.0(3) . .
C22 C23 C24 C25 0.1(5) . .
O10 C23 C24 C25 -173.8(3) . .
C23 C24 C25 C26 -0.5(5) . .
C22 N2 C26 C25 -0.3(5) . .
C24 C25 C26 N2 0.7(6) . .
