#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:58:33 +0100 (jue 07 de nov de 2019) $
#$Revision: 224151 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/87/7048737.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_7048737
loop_
_publ_author_name
'Jiang, Dongmei'
'Yang, Xiaoping'
'Chen, Hongfen'
'Wang, Fei'
'Wang, Shiqing'
'Zhu, Ting'
'Zhang, Lijie'
'Huang, Shaoming'
_publ_section_title
;
 Cation sensing by luminescent high-nuclearity Zn-Eu Schiff base nanoscale
 complexes: high sensitivity to Ag⁺ and Cd²⁺ ions at
 the ppm level.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2206
_journal_page_last               2212
_journal_paper_doi               10.1039/c8dt04942d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C102 H106 Eu6 N4 O52 Zn6'
_chemical_formula_weight         3523.89
_chemical_name_systematic        Cluster-3
_chemical_properties_physical    Heat-sensitive
_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
;
2018-12-14 deposited with the CCDC.
2019-01-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.808(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.086(4)
_cell_length_b                   22.236(5)
_cell_length_c                   20.024(5)
_cell_measurement_reflns_used    8210
_cell_measurement_temperature    190(1)
_cell_measurement_theta_max      27.7119
_cell_measurement_theta_min      1.3092
_cell_volume                     7310(3)
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      190(1)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0946
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7019
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    3.572
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7022
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'DENZO and Scalepack (Otwinoski and Minor, 1997)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3440
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_platon_squeeze_details
;
;
_refine_diff_density_max         1.933
_refine_diff_density_min         -1.317
_refine_diff_density_rms         0.334
_refine_ls_extinction_coef       0.00013(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         7019
_refine_ls_number_restraints     511
_refine_ls_restrained_S_all      0.916
_refine_ls_R_factor_all          0.1251
_refine_ls_R_factor_gt           0.0802
_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)+(0.1725P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2122
_refine_ls_wR_factor_ref         0.2465
_reflns_number_gt                3884
_reflns_number_total             7019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8dt04942d2.cif
_cod_data_source_block           cluster-3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7048735--7048737.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7048737
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
Eu1 Eu 1.08555(7) 0.40078(6) 0.85908(6) 0.0738(5) Uani 1 1 d U
Eu2 Eu 1.10924(7) 0.36208(5) 0.69782(5) 0.0622(4) Uani 1 1 d U
Eu3 Eu 1.29333(7) 0.39860(6) 0.85057(6) 0.0704(5) Uani 1 1 d U
Zn1 Zn 0.92708(18) 0.45170(16) 0.70199(15) 0.0949(10) Uani 1 1 d U
Zn2 Zn 1.1889(2) 0.27237(15) 0.85420(15) 0.0974(11) Uani 1 1 d U
Zn3 Zn 1.28436(17) 0.43821(13) 0.68053(14) 0.0809(9) Uani 1 1 d U
N1 N 1.3613(12) 0.4925(9) 0.6577(11) 0.089(6) Uani 1 1 d U
N2 N 0.8121(12) 0.4893(9) 0.6843(11) 0.093(6) Uani 1 1 d U
O1 O 1.4426(10) 0.4284(8) 0.9284(9) 0.100(5) Uani 1 1 d U
O2 O 1.3616(9) 0.4443(8) 0.7904(8) 0.089(5) Uani 1 1 d U
O3 O 0.9569(10) 0.4454(8) 0.8119(9) 0.096(5) Uani 1 1 d U
O4 O 1.0206(12) 0.4235(9) 0.9514(9) 0.109(6) Uani 1 1 d U
O5 O 1.1969(10) 0.4388(8) 0.5793(8) 0.091(5) Uani 1 1 d U
O6 O 1.1358(9) 0.3558(7) 0.5960(8) 0.083(5) Uani 1 1 d U
O7 O 1.3246(9) 0.3533(7) 0.6780(9) 0.089(5) Uani 1 1 d U
O8 O 1.2561(10) 0.3324(7) 0.7432(9) 0.092(5) Uani 1 1 d U
O9 O 1.3692(11) 0.3112(9) 0.8906(10) 0.119(6) Uani 1 1 d U
O10 O 1.2977(12) 0.2449(8) 0.9215(10) 0.114(6) Uani 1 1 d U
O11 O 1.3101(10) 0.3843(8) 0.9698(9) 0.100(5) Uani 1 1 d U
O12 O 1.1867(12) 0.3814(8) 0.9718(10) 0.112(6) Uani 1 1 d U
O13 O 1.2651(11) 0.4917(8) 0.8829(9) 0.098(5) Uani 1 1 d U
O14 O 1.1463(11) 0.4929(8) 0.8903(8) 0.097(5) Uani 1 1 d U
O15 O 1.1316(14) 0.2451(10) 0.9112(12) 0.142(7) Uani 1 1 d U
O16 O 1.0392(12) 0.3154(10) 0.8936(11) 0.128(7) Uani 1 1 d U
O17 O 0.9904(10) 0.3862(7) 0.6011(8) 0.089(5) Uani 1 1 d U
O18 O 0.9175(9) 0.4661(7) 0.6023(8) 0.085(5) Uani 1 1 d U
O19 O 1.0138(10) 0.3363(7) 0.7494(9) 0.093(5) Uani 1 1 d U
O20 O 0.8870(10) 0.3646(7) 0.6985(8) 0.086(5) Uani 1 1 d U
O21 O 1.1981(9) 0.4456(7) 0.7273(7) 0.078(4) Uani 1 1 d U
O22 O 1.0584(9) 0.4478(7) 0.7408(7) 0.076(4) Uani 1 1 d U
O23 O 0.9821(11) 0.5539(8) 0.7261(9) 0.099(5) Uani 1 1 d U
C1 C 1.4916(17) 0.4065(13) 1.0038(15) 0.124(10) Uani 1 1 d U
H1A H 1.5296 0.4371 1.0314 0.186 Uiso 1 1 calc R
H1B H 1.5208 0.3710 1.0017 0.186 Uiso 1 1 calc R
H1C H 1.4563 0.3972 1.0271 0.186 Uiso 1 1 calc R
C2 C 1.4850(17) 0.4571(13) 0.8944(15) 0.097(8) Uani 1 1 d U
C3 C 1.5647(17) 0.4752(13) 0.9297(16) 0.106(9) Uani 1 1 d U
H3A H 1.5929 0.4677 0.9798 0.127 Uiso 1 1 calc R
C4 C 1.599(2) 0.5007(15) 0.8975(19) 0.131(11) Uani 1 1 d U
H4A H 1.6524 0.5141 0.9230 0.158 Uiso 1 1 calc R
C5 C 1.556(2) 0.5105(15) 0.8169(18) 0.141(12) Uani 1 1 d U
H5A H 1.5825 0.5280 0.7911 0.169 Uiso 1 1 calc R
C6 C 1.4708(17) 0.4925(13) 0.7785(16) 0.103(8) Uani 1 1 d U
C7 C 1.4400(16) 0.4702(11) 0.8184(13) 0.083(7) Uani 1 1 d U
C8 C 1.4329(15) 0.5127(12) 0.7020(14) 0.092(8) Uani 1 1 d U
H8A H 1.4599 0.5400 0.6848 0.111 Uiso 1 1 calc R
C9 C 1.3304(14) 0.5242(12) 0.5850(13) 0.081(7) Uani 1 1 d U
C10 C 1.3228(15) 0.5811(12) 0.5818(14) 0.092(8) Uani 1 1 d U
H10A H 1.3411 0.6024 0.6258 0.110 Uiso 1 1 calc R
C11 C 1.2863(16) 0.6158(12) 0.5115(15) 0.103(9) Uani 1 1 d U
H11A H 1.2816 0.6575 0.5100 0.124 Uiso 1 1 calc R
C12 C 1.2596(15) 0.5798(11) 0.4477(14) 0.088(7) Uani 1 1 d U
H12A H 1.2352 0.5990 0.4024 0.105 Uiso 1 1 calc R
C13 C 1.2672(13) 0.5181(10) 0.4481(12) 0.069(6) Uani 1 1 d U
C14 C 1.2393(13) 0.4839(11) 0.3845(12) 0.072(6) Uani 1 1 d U
C15 C 1.2499(15) 0.4221(12) 0.3871(14) 0.092(8) Uani 1 1 d U
H15A H 1.2258 0.3980 0.3455 0.111 Uiso 1 1 calc R
C16 C 1.3000(15) 0.3978(12) 0.4577(15) 0.094(8) Uani 1 1 d U
H16A H 1.3175 0.3581 0.4604 0.113 Uiso 1 1 calc R
C17 C 1.3229(14) 0.4289(11) 0.5194(14) 0.083(7) Uani 1 1 d U
H17A H 1.3499 0.4093 0.5642 0.100 Uiso 1 1 calc R
C18 C 1.3080(12) 0.4881(10) 0.5190(11) 0.064(6) Uani 1 1 d U
C21 C 0.7877(15) 0.4932(11) 0.7353(13) 0.088(7) Uani 1 1 d U
H21A H 0.7360 0.5091 0.7224 0.106 Uiso 1 1 calc R
C22 C 0.8337(17) 0.4750(12) 0.8134(14) 0.096(8) Uani 1 1 d U
C23 C 0.789(2) 0.4798(16) 0.8563(18) 0.138(11) Uani 1 1 d U
H23A H 0.7357 0.4943 0.8330 0.166 Uiso 1 1 calc R
C24 C 0.816(2) 0.4650(15) 0.9285(19) 0.145(12) Uani 1 1 d U
H24A H 0.7839 0.4674 0.9544 0.174 Uiso 1 1 calc R
C25 C 0.8965(17) 0.4460(13) 0.9601(16) 0.107(9) Uani 1 1 d U
H25A H 0.9209 0.4371 1.0101 0.129 Uiso 1 1 calc R
C26 C 0.9389(15) 0.4402(11) 0.9210(13) 0.077(7) Uani 1 1 d U
C27 C 0.9080(18) 0.4532(13) 0.8460(16) 0.102(8) Uani 1 1 d U
C28 C 1.0552(18) 0.4040(13) 1.0301(15) 0.128(11) Uani 1 1 d U
H28A H 1.0462 0.4348 1.0594 0.191 Uiso 1 1 calc R
H28B H 1.1126 0.3970 1.0471 0.191 Uiso 1 1 calc R
H28C H 1.0290 0.3675 1.0343 0.191 Uiso 1 1 calc R
C29 C 0.953(2) 0.6004(16) 0.767(2) 0.175(15) Uani 1 1 d U
H29A H 0.9989 0.6193 0.8045 0.263 Uiso 1 1 calc R
H29B H 0.9208 0.5806 0.7880 0.263 Uiso 1 1 calc R
H29C H 0.9200 0.6303 0.7322 0.263 Uiso 1 1 calc R
C30 C 1.0509(16) 0.5545(13) 0.7204(13) 0.086(7) Uani 1 1 d U
C31 C 1.0831(16) 0.6067(12) 0.7052(13) 0.091(8) Uani 1 1 d U
H31A H 1.0546 0.6426 0.6994 0.110 Uiso 1 1 calc R
C32 C 1.1541(14) 0.6068(11) 0.6989(12) 0.079(7) Uani 1 1 d U
H32A H 1.1756 0.6426 0.6907 0.095 Uiso 1 1 calc R
C33 C 1.1981(13) 0.5487(9) 0.7052(11) 0.065(6) Uani 1 1 d U
H33A H 1.2466 0.5461 0.6998 0.078 Uiso 1 1 calc R
C34 C 1.1613(14) 0.5000(11) 0.7194(12) 0.072(6) Uani 1 1 d U
C35 C 1.0885(14) 0.5002(11) 0.7277(12) 0.074(7) Uani 1 1 d U
C36 C 1.309(2) 0.2501(15) 0.7029(19) 0.154(13) Uani 1 1 d U
H36A H 1.3409 0.2445 0.6757 0.231 Uiso 1 1 calc R
H36B H 1.2571 0.2303 0.6780 0.231 Uiso 1 1 calc R
H36C H 1.3367 0.2335 0.7513 0.231 Uiso 1 1 calc R
C37 C 1.2952(16) 0.3141(12) 0.7086(15) 0.089(8) Uani 1 1 d U
C38 C 1.1062(15) 0.3854(11) 0.4733(13) 0.090(8) Uani 1 1 d U
H38A H 1.1190 0.4182 0.4487 0.135 Uiso 1 1 calc R
H38B H 1.0486 0.3848 0.4598 0.135 Uiso 1 1 calc R
H38C H 1.1224 0.3482 0.4592 0.135 Uiso 1 1 calc R
C39 C 1.1502(14) 0.3934(11) 0.5538(13) 0.071(6) Uani 1 1 d U
C41 C 1.4394(18) 0.2332(14) 0.9732(17) 0.139(11) Uani 1 1 d U
H41A H 1.4278 0.2006 0.9987 0.208 Uiso 1 1 calc R
H41B H 1.4741 0.2618 1.0083 0.208 Uiso 1 1 calc R
H41C H 1.4663 0.2180 0.9443 0.208 Uiso 1 1 calc R
C42 C 1.3565(19) 0.2651(14) 0.9207(16) 0.100(9) Uani 1 1 d U
C43 C 1.0915(17) 0.1549(12) 0.6728(15) 0.123(10) Uani 1 1 d U
H43A H 1.0600 0.1624 0.6213 0.185 Uiso 1 1 calc R
H43B H 1.0601 0.1312 0.6915 0.185 Uiso 1 1 calc R
H43C H 1.1403 0.1336 0.6795 0.185 Uiso 1 1 calc R
C44 C 1.1133(17) 0.2125(14) 0.7126(16) 0.102(9) Uani 1 1 d U
C45 C 1.030(3) 0.230(2) 0.959(3) 0.22(3) Uani 1 1 d DU
H45A H 1.0640 0.1962 0.9820 0.328 Uiso 1 1 calc R
H45B H 0.9758 0.2164 0.9285 0.328 Uiso 1 1 calc R
H45C H 1.0279 0.2563 0.9967 0.328 Uiso 1 1 calc R
C46 C 1.065(3) 0.265(2) 0.912(2) 0.154(14) Uani 1 1 d DU
C47 C 1.299(2) 0.3541(15) 1.0818(17) 0.153(13) Uani 1 1 d U
H47A H 1.3573 0.3497 1.1018 0.229 Uiso 1 1 calc R
H47B H 1.2750 0.3167 1.0862 0.229 Uiso 1 1 calc R
H47C H 1.2854 0.3849 1.1083 0.229 Uiso 1 1 calc R
C48 C 1.2661(15) 0.3722(10) 0.9987(12) 0.066(6) Uani 1 1 d U
C49 C 0.9105(18) 0.4322(14) 0.4907(15) 0.127(10) Uani 1 1 d U
H49A H 0.8733 0.4652 0.4723 0.190 Uiso 1 1 calc R
H49B H 0.8830 0.3953 0.4696 0.190 Uiso 1 1 calc R
H49C H 0.9555 0.4378 0.4777 0.190 Uiso 1 1 calc R
C50 C 0.9406(13) 0.4294(11) 0.5703(12) 0.069(6) Uani 1 1 d U
C51 C 0.921(2) 0.2590(19) 0.716(2) 0.199(18) Uani 1 1 d U
H51A H 0.8633 0.2545 0.6887 0.299 Uiso 1 1 calc R
H51B H 0.9370 0.2454 0.7654 0.299 Uiso 1 1 calc R
H51C H 0.9485 0.2355 0.6928 0.299 Uiso 1 1 calc R
C52 C 0.943(2) 0.3222(14) 0.7163(16) 0.105(9) Uani 1 1 d U
C53 C 1.2232(15) 0.5834(11) 0.9054(14) 0.098(8) Uani 1 1 d U
H53A H 1.1774 0.6009 0.9106 0.147 Uiso 1 1 calc R
H53B H 1.2285 0.6009 0.8638 0.147 Uiso 1 1 calc R
H53C H 1.2719 0.5909 0.9491 0.147 Uiso 1 1 calc R
C54 C 1.2103(17) 0.5155(12) 0.8938(13) 0.082(7) Uani 1 1 d U
O29 O 1.1541(14) 0.2093(10) 0.7816(13) 0.143(7) Uani 1 1 d U
O30 O 1.0983(10) 0.2607(7) 0.6799(8) 0.091(5) Uani 1 1 d U
O31 O 1.1713(8) 0.3545(6) 0.8241(7) 0.070(4) Uani 1 1 d U
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'
Eu Eu -0.1578 3.6682 '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
O31 Eu1 O12 81.2(6) . .
O31 Eu1 O14 100.6(6) . .
O12 Eu1 O14 78.7(6) . .
O31 Eu1 O16 96.0(6) . .
O12 Eu1 O16 77.7(7) . .
O14 Eu1 O16 148.6(6) . .
O31 Eu1 O3 141.7(5) . .
O12 Eu1 O3 137.2(6) . .
O14 Eu1 O3 90.7(6) . .
O16 Eu1 O3 92.6(7) . .
O31 Eu1 O22 76.9(5) . .
O12 Eu1 O22 142.6(6) . .
O14 Eu1 O22 76.1(5) . .
O16 Eu1 O22 134.1(6) . .
O3 Eu1 O22 70.5(5) . .
O31 Eu1 O19 68.0(5) . .
O12 Eu1 O19 132.3(6) . .
O14 Eu1 O19 140.6(5) . .
O16 Eu1 O19 70.6(6) . .
O3 Eu1 O19 80.0(6) . .
O22 Eu1 O19 64.7(5) . .
O31 Eu1 O4 153.7(5) . .
O12 Eu1 O4 75.5(6) . .
O14 Eu1 O4 86.6(6) . .
O16 Eu1 O4 67.6(7) . .
O3 Eu1 O4 62.4(6) . .
O22 Eu1 O4 129.3(5) . .
O19 Eu1 O4 120.8(6) . .
O31 Eu1 Zn2 30.7(4) . .
O12 Eu1 Zn2 69.5(5) . .
O14 Eu1 Zn2 123.2(5) . .
O16 Eu1 Zn2 66.0(5) . .
O3 Eu1 Zn2 143.5(4) . .
O22 Eu1 Zn2 102.6(3) . .
O19 Eu1 Zn2 65.4(4) . .
O4 Eu1 Zn2 126.2(4) . .
O31 Eu1 Zn1 106.9(3) . .
O12 Eu1 Zn1 170.3(5) . .
O14 Eu1 Zn1 94.3(4) . .
O16 Eu1 Zn1 106.2(5) . .
O3 Eu1 Zn1 35.2(4) . .
O22 Eu1 Zn1 38.8(3) . .
O19 Eu1 Zn1 57.0(4) . .
O4 Eu1 Zn1 97.7(4) . .
Zn2 Eu1 Zn1 120.14(8) . .
O31 Eu1 Eu2 39.3(3) . .
O12 Eu1 Eu2 120.3(5) . .
O14 Eu1 Eu2 103.9(4) . .
O16 Eu1 Eu2 105.8(5) . .
O3 Eu1 Eu2 102.5(4) . .
O22 Eu1 Eu2 43.2(3) . .
O19 Eu1 Eu2 43.2(4) . .
O4 Eu1 Eu2 162.2(4) . .
Zn2 Eu1 Eu2 59.75(6) . .
Zn1 Eu1 Eu2 67.59(6) . .
O31 Eu1 Eu3 31.4(4) . .
O12 Eu1 Eu3 69.2(5) . .
O14 Eu1 Eu3 69.9(5) . .
O16 Eu1 Eu3 119.4(5) . .
O3 Eu1 Eu3 144.8(4) . .
O22 Eu1 Eu3 76.4(3) . .
O19 Eu1 Eu3 96.4(4) . .
O4 Eu1 Eu3 140.5(4) . .
Zn2 Eu1 Eu3 55.46(6) . .
Zn1 Eu1 Eu3 114.83(6) . .
Eu2 Eu1 Eu3 57.30(3) . .
O17 Eu2 O30 96.3(6) . .
O17 Eu2 O6 74.5(5) . .
O30 Eu2 O6 80.6(6) . .
O17 Eu2 O31 143.6(5) . .
O30 Eu2 O31 94.0(5) . .
O6 Eu2 O31 141.9(5) . .
O17 Eu2 O21 109.2(5) . .
O30 Eu2 O21 145.3(5) . .
O6 Eu2 O21 84.0(5) . .
O31 Eu2 O21 79.4(5) . .
O17 Eu2 O19 80.3(6) . .
O30 Eu2 O19 78.6(6) . .
O6 Eu2 O19 145.0(6) . .
O31 Eu2 O19 67.7(5) . .
O21 Eu2 O19 127.6(5) . .
O17 Eu2 O22 75.7(5) . .
O30 Eu2 O22 144.4(6) . .
O6 Eu2 O22 128.1(5) . .
O31 Eu2 O22 75.6(5) . .
O21 Eu2 O22 67.2(5) . .
O19 Eu2 O22 65.9(5) . .
O17 Eu2 O8 148.2(6) . .
O30 Eu2 O8 78.8(6) . .
O6 Eu2 O8 73.8(5) . .
O31 Eu2 O8 68.2(5) . .
O21 Eu2 O8 67.1(5) . .
O19 Eu2 O8 128.2(5) . .
O22 Eu2 O8 125.4(5) . .
O17 Eu2 C35 77.8(6) . .
O30 Eu2 C35 167.3(6) . .
O6 Eu2 C35 108.2(6) . .
O31 Eu2 C35 84.6(5) . .
O21 Eu2 C35 46.8(6) . .
O19 Eu2 C35 89.2(6) . .
O22 Eu2 C35 23.4(5) . .
O8 Eu2 C35 112.1(6) . .
O17 Eu2 C34 90.5(6) . .
O30 Eu2 C34 167.4(6) . .
O6 Eu2 C34 91.1(6) . .
O31 Eu2 C34 86.6(5) . .
O21 Eu2 C34 22.7(5) . .
O19 Eu2 C34 113.2(6) . .
O22 Eu2 C34 47.9(5) . .
O8 Eu2 C34 89.8(6) . .
C35 Eu2 C34 25.3(5) . .
O17 Eu2 Zn2 142.1(4) . .
O30 Eu2 Zn2 63.2(4) . .
O6 Eu2 Zn2 127.3(4) . .
O31 Eu2 Zn2 30.9(3) . .
O21 Eu2 Zn2 104.1(3) . .
O19 Eu2 Zn2 65.2(4) . .
O22 Eu2 Zn2 102.0(3) . .
O8 Eu2 Zn2 63.0(4) . .
C35 Eu2 Zn2 114.9(4) . .
C34 Eu2 Zn2 116.3(4) . .
O17 Eu2 Eu1 106.7(4) . .
O30 Eu2 Eu1 110.4(4) . .
O6 Eu2 Eu1 168.5(4) . .
O31 Eu2 Eu1 37.4(3) . .
O21 Eu2 Eu1 84.9(4) . .
O19 Eu2 Eu1 44.6(4) . .
O22 Eu2 Eu1 43.6(3) . .
O8 Eu2 Eu1 104.4(4) . .
C35 Eu2 Eu1 61.6(4) . .
C34 Eu2 Eu1 77.5(4) . .
Zn2 Eu2 Eu1 58.69(6) . .
O31 Eu3 O13 98.4(6) . .
O31 Eu3 O2 139.0(5) . .
O13 Eu3 O2 88.9(6) . .
O31 Eu3 O11 82.8(5) . .
O13 Eu3 O11 77.2(6) . .
O2 Eu3 O11 137.9(6) . .
O31 Eu3 O9 95.5(6) . .
O13 Eu3 O9 146.1(6) . .
O2 Eu3 O9 100.5(7) . .
O11 Eu3 O9 74.0(7) . .
O31 Eu3 O8 69.7(5) . .
O13 Eu3 O8 141.1(5) . .
O2 Eu3 O8 79.4(6) . .
O11 Eu3 O8 134.0(6) . .
O9 Eu3 O8 72.9(6) . .
O31 Eu3 O21 75.9(5) . .
O13 Eu3 O21 76.4(5) . .
O2 Eu3 O21 66.8(5) . .
O11 Eu3 O21 142.9(6) . .
O9 Eu3 O21 137.3(6) . .
O8 Eu3 O21 64.9(5) . .
O31 Eu3 O1 157.6(5) . .
O13 Eu3 O1 84.1(6) . .
O2 Eu3 O1 62.9(5) . .
O11 Eu3 O1 76.1(6) . .
O9 Eu3 O1 71.8(6) . .
O8 Eu3 O1 121.2(6) . .
O21 Eu3 O1 126.0(5) . .
O31 Eu3 C48 68.3(5) . .
O13 Eu3 C48 76.6(6) . .
O2 Eu3 C48 151.5(6) . .
O11 Eu3 C48 15.0(6) . .
O9 Eu3 C48 80.1(6) . .
O8 Eu3 C48 126.7(6) . .
O21 Eu3 C48 130.7(5) . .
O1 Eu3 C48 90.9(6) . .
O31 Eu3 Zn2 32.1(3) . .
O13 Eu3 Zn2 123.2(5) . .
O2 Eu3 Zn2 143.5(4) . .
O11 Eu3 Zn2 72.3(4) . .
O9 Eu3 Zn2 63.6(5) . .
O8 Eu3 Zn2 64.7(4) . .
O21 Eu3 Zn2 101.7(3) . .
O1 Eu3 Zn2 130.6(4) . .
C48 Eu3 Zn2 62.2(4) . .
O31 Eu3 Zn3 104.0(3) . .
O13 Eu3 Zn3 97.2(4) . .
O2 Eu3 Zn3 35.1(4) . .
O11 Eu3 Zn3 171.9(4) . .
O9 Eu3 Zn3 109.3(5) . .
O8 Eu3 Zn3 53.7(4) . .
O21 Eu3 Zn3 38.1(3) . .
O1 Eu3 Zn3 97.7(4) . .
C48 Eu3 Zn3 168.8(4) . .
Zn2 Eu3 Zn3 115.76(7) . .
O31 Eu3 Eu2 39.5(3) . .
O13 Eu3 Eu2 102.2(4) . .
O2 Eu3 Eu2 99.6(4) . .
O11 Eu3 Eu2 122.1(4) . .
O9 Eu3 Eu2 108.2(5) . .
O8 Eu3 Eu2 45.0(4) . .
O21 Eu3 Eu2 41.8(3) . .
O1 Eu3 Eu2 161.6(4) . .
C48 Eu3 Eu2 107.4(4) . .
Zn2 Eu3 Eu2 60.02(5) . .
Zn3 Eu3 Eu2 64.47(5) . .
O18 Zn1 O3 169.3(7) . .
O18 Zn1 O20 103.9(7) . .
O3 Zn1 O20 84.4(7) . .
O18 Zn1 N2 96.0(7) . .
O3 Zn1 N2 90.2(7) . .
O20 Zn1 N2 93.4(7) . .
O18 Zn1 O22 89.2(6) . .
O3 Zn1 O22 81.8(6) . .
O20 Zn1 O22 107.0(6) . .
N2 Zn1 O22 157.2(7) . .
O18 Zn1 O23 84.5(6) . .
O3 Zn1 O23 87.1(6) . .
O20 Zn1 O23 171.4(6) . .
N2 Zn1 O23 87.5(7) . .
O22 Zn1 O23 70.9(6) . .
O18 Zn1 Eu1 132.1(5) . .
O3 Zn1 Eu1 41.3(4) . .
O20 Zn1 Eu1 82.4(4) . .
N2 Zn1 Eu1 131.5(6) . .
O22 Zn1 Eu1 44.9(4) . .
O23 Zn1 Eu1 90.6(4) . .
O31 Zn2 O29 120.0(8) . .
O31 Zn2 O15 115.3(8) . .
O29 Zn2 O15 97.5(10) . .
O31 Zn2 O10 120.2(7) . .
O29 Zn2 O10 102.0(9) . .
O15 Zn2 O10 97.3(9) . .
O31 Zn2 Eu3 39.1(4) . .
O29 Zn2 Eu3 126.5(7) . .
O15 Zn2 Eu3 135.4(7) . .
O10 Zn2 Eu3 82.3(6) . .
O31 Zn2 Eu1 36.2(4) . .
O29 Zn2 Eu1 128.1(7) . .
O15 Zn2 Eu1 79.1(7) . .
O10 Zn2 Eu1 129.9(6) . .
Eu3 Zn2 Eu1 68.19(7) . .
O31 Zn2 Eu2 38.2(4) . .
O29 Zn2 Eu2 81.8(7) . .
O15 Zn2 Eu2 126.1(7) . .
O10 Zn2 Eu2 135.8(6) . .
Eu3 Zn2 Eu2 62.03(6) . .
Eu1 Zn2 Eu2 61.56(6) . .
O5 Zn3 O7 97.0(7) . .
O5 Zn3 N1 95.4(8) . .
O7 Zn3 N1 105.1(7) . .
O5 Zn3 O2 170.7(7) . .
O7 Zn3 O2 89.9(7) . .
N1 Zn3 O2 88.9(7) . .
O5 Zn3 O21 91.8(6) . .
O7 Zn3 O21 114.7(6) . .
N1 Zn3 O21 138.3(7) . .
O2 Zn3 O21 79.5(6) . .
O5 Zn3 Eu3 134.2(5) . .
O7 Zn3 Eu3 85.3(5) . .
N1 Zn3 Eu3 128.3(6) . .
O2 Zn3 Eu3 39.8(4) . .
O21 Zn3 Eu3 47.8(4) . .
O5 Zn3 Eu2 75.7(5) . .
O7 Zn3 Eu2 84.7(5) . .
N1 Zn3 Eu2 167.7(6) . .
O2 Zn3 Eu2 98.7(4) . .
O21 Zn3 Eu2 35.9(4) . .
Eu3 Zn3 Eu2 58.92(5) . .
C8 N1 C9 111(2) . .
C8 N1 Zn3 129.0(19) . .
C9 N1 Zn3 119.1(15) . .
C21 N2 C14 116(2) . 3_766
C21 N2 Zn1 122.4(18) . .
C14 N2 Zn1 121.3(15) 3_766 .
C2 O1 C1 116(2) . .
C2 O1 Eu3 118.6(15) . .
C1 O1 Eu3 124.1(15) . .
C7 O2 Zn3 124.7(14) . .
C7 O2 Eu3 130.2(14) . .
Zn3 O2 Eu3 105.0(7) . .
C27 O3 Zn1 127.6(16) . .
C27 O3 Eu1 127.6(17) . .
Zn1 O3 Eu1 103.5(7) . .
C26 O4 C28 116(2) . .
C26 O4 Eu1 116.8(14) . .
C28 O4 Eu1 125.0(16) . .
C39 O5 Zn3 121.0(16) . .
C39 O6 Eu2 136.1(15) . .
C37 O7 Zn3 113.0(16) . .
C37 O8 Eu3 132.1(17) . .
C37 O8 Eu2 130.2(16) . .
Eu3 O8 Eu2 91.1(6) . .
C42 O9 Eu3 130(2) . .
C42 O10 Zn2 122(2) . .
C48 O11 Eu3 135.2(16) . .
C48 O12 Eu1 136.0(16) . .
C54 O13 Eu3 137.4(19) . .
C54 O14 Eu1 135.3(18) . .
C46 O15 Zn2 129(2) . .
C46 O16 Eu1 136(3) . .
C50 O17 Eu2 143.8(15) . .
C50 O18 Zn1 121.7(15) . .
C52 O19 Eu2 127.4(18) . .
C52 O19 Eu1 132.4(19) . .
Eu2 O19 Eu1 92.2(6) . .
C52 O20 Zn1 116.4(17) . .
C34 O21 Zn3 115.4(14) . .
C34 O21 Eu2 115.0(13) . .
Zn3 O21 Eu2 112.0(6) . .
C34 O21 Eu3 125.0(12) . .
Zn3 O21 Eu3 94.1(5) . .
Eu2 O21 Eu3 91.8(5) . .
C35 O22 Zn1 111.4(13) . .
C35 O22 Eu2 111.4(13) . .
Zn1 O22 Eu2 115.2(6) . .
C35 O22 Eu1 128.4(13) . .
Zn1 O22 Eu1 96.2(5) . .
Eu2 O22 Eu1 93.2(5) . .
C30 O23 C29 127(2) . .
C30 O23 Zn1 108.5(16) . .
C29 O23 Zn1 121.8(17) . .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 O1 124(3) . .
C3 C2 C7 120(3) . .
O1 C2 C7 116(2) . .
C4 C3 C2 122(3) . .
C4 C3 H3A 119.1 . .
C2 C3 H3A 119.1 . .
C3 C4 C5 119(3) . .
C3 C4 H4A 120.3 . .
C5 C4 H4A 120.3 . .
C6 C5 C4 120(3) . .
C6 C5 H5A 120.2 . .
C4 C5 H5A 120.2 . .
C7 C6 C5 115(3) . .
C7 C6 C8 131(3) . .
C5 C6 C8 113(3) . .
C6 C7 O2 123(2) . .
C6 C7 C2 124(3) . .
O2 C7 C2 112(2) . .
N1 C8 C6 120(3) . .
N1 C8 H8A 120.0 . .
C6 C8 H8A 120.0 . .
C10 C9 C18 121(2) . .
C10 C9 N1 120(2) . .
C18 C9 N1 118(2) . .
C9 C10 C11 124(3) . .
C9 C10 H10A 118.1 . .
C11 C10 H10A 118.1 . .
C12 C11 C10 114(2) . .
C12 C11 H11A 122.9 . .
C10 C11 H11A 122.9 . .
C13 C12 C11 124(2) . .
C13 C12 H12A 117.8 . .
C11 C12 H12A 117.8 . .
C12 C13 C14 123(2) . .
C12 C13 C18 118(2) . .
C14 C13 C18 119(2) . .
C15 C14 C13 121(2) . .
C15 C14 N2 118(2) . 3_766
C13 C14 N2 120(2) . 3_766
C14 C15 C16 116(2) . .
C14 C15 H15A 122.2 . .
C16 C15 H15A 122.2 . .
C17 C16 C15 123(3) . .
C17 C16 H16A 118.4 . .
C15 C16 H16A 118.4 . .
C16 C17 C18 122(2) . .
C16 C17 H17A 119.2 . .
C18 C17 H17A 119.2 . .
C17 C18 C9 124(2) . .
C17 C18 C13 118(2) . .
C9 C18 C13 118(2) . .
N2 C21 C22 127(2) . .
N2 C21 H21A 116.7 . .
C22 C21 H21A 116.7 . .
C27 C22 C23 117(3) . .
C27 C22 C21 129(3) . .
C23 C22 C21 114(3) . .
C24 C23 C22 126(3) . .
C24 C23 H23A 117.2 . .
C22 C23 H23A 117.2 . .
C23 C24 C25 114(3) . .
C23 C24 H24A 123.1 . .
C25 C24 H24A 123.1 . .
C26 C25 C24 121(3) . .
C26 C25 H25A 119.3 . .
C24 C25 H25A 119.3 . .
C25 C26 O4 123(2) . .
C25 C26 C27 123(3) . .
O4 C26 C27 113(2) . .
C22 C27 O3 124(3) . .
C22 C27 C26 118(3) . .
O3 C27 C26 118(3) . .
O4 C28 H28A 109.5 . .
O4 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
O4 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
O23 C29 H29A 109.5 . .
O23 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
O23 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O23 C30 C35 116(3) . .
O23 C30 C31 122(3) . .
C35 C30 C31 122(3) . .
C32 C31 C30 122(3) . .
C32 C31 H31A 119.1 . .
C30 C31 H31A 119.1 . .
C31 C32 C33 119(2) . .
C31 C32 H32A 120.4 . .
C33 C32 H32A 120.4 . .
C34 C33 C32 114(2) . .
C34 C33 H33A 122.8 . .
C32 C33 H33A 122.8 . .
O21 C34 C33 118(2) . .
O21 C34 C35 115(2) . .
C33 C34 C35 126(2) . .
O21 C34 Eu2 42.3(10) . .
C33 C34 Eu2 151.6(17) . .
C35 C34 Eu2 77.2(15) . .
O22 C35 C30 124(2) . .
O22 C35 C34 120(2) . .
C30 C35 C34 116(3) . .
O22 C35 Eu2 45.2(10) . .
C30 C35 Eu2 158.1(17) . .
C34 C35 Eu2 77.5(15) . .
C37 C36 H36A 109.5 . .
C37 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C37 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
O8 C37 O7 119(2) . .
O8 C37 C36 121(3) . .
O7 C37 C36 120(3) . .
C39 C38 H38A 109.5 . .
C39 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C39 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O5 C39 O6 122(2) . .
O5 C39 C38 120(2) . .
O6 C39 C38 118(2) . .
C42 C41 H41A 109.5 . .
C42 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C42 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
O10 C42 O9 132(3) . .
O10 C42 C41 116(3) . .
O9 C42 C41 112(3) . .
C44 C43 H43A 109.5 . .
C44 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C44 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
O30 C44 O29 122(3) . .
O30 C44 C43 122(3) . .
O29 C44 C43 116(3) . .
C46 C45 H45A 109.5 . .
C46 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C46 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
O16 C46 O15 124(4) . .
O16 C46 C45 116(4) . .
O15 C46 C45 117(4) . .
C48 C47 H47A 109.5 . .
C48 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C48 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
O11 C48 O12 127(2) . .
O11 C48 C47 123(2) . .
O12 C48 C47 110(2) . .
O11 C48 Eu3 29.8(11) . .
O12 C48 Eu3 98.9(14) . .
C47 C48 Eu3 151.4(18) . .
C50 C49 H49A 109.5 . .
C50 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C50 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
O18 C50 O17 125(2) . .
O18 C50 C49 120(2) . .
O17 C50 C49 115(2) . .
C52 C51 H51A 109.5 . .
C52 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C52 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
O19 C52 O20 119(3) . .
O19 C52 C51 118(3) . .
O20 C52 C51 121(3) . .
C54 C53 H53A 109.5 . .
C54 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C54 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
O13 C54 O14 129(3) . .
O13 C54 C53 112(3) . .
O14 C54 C53 119(3) . .
C44 O29 Zn2 130(2) . .
C44 O30 Eu2 142.8(18) . .
Zn2 O31 Eu1 113.1(7) . .
Zn2 O31 Eu3 108.9(6) . .
Eu1 O31 Eu3 118.0(6) . .
Zn2 O31 Eu2 110.9(6) . .
Eu1 O31 Eu2 103.3(5) . .
Eu3 O31 Eu2 101.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O31 2.207(14) .
Eu1 O12 2.272(18) .
Eu1 O14 2.284(18) .
Eu1 O16 2.30(2) .
Eu1 O3 2.334(15) .
Eu1 O22 2.444(14) .
Eu1 O19 2.484(17) .
Eu1 O4 2.623(17) .
Eu1 Zn2 3.437(4) .
Eu1 Zn1 3.439(3) .
Eu1 Eu2 3.5372(17) .
Eu1 Eu3 3.8328(19) .
Eu2 O17 2.273(16) .
Eu2 O30 2.279(16) .
Eu2 O6 2.286(16) .
Eu2 O31 2.302(12) .
Eu2 O21 2.363(15) .
Eu2 O19 2.423(17) .
Eu2 O22 2.425(14) .
Eu2 O8 2.508(16) .
Eu2 C35 3.18(2) .
Eu2 C34 3.18(2) .
Eu2 Zn2 3.475(3) .
Eu3 O31 2.265(14) .
Eu3 O13 2.291(17) .
Eu3 O2 2.292(15) .
Eu3 O11 2.300(17) .
Eu3 O9 2.319(19) .
Eu3 O8 2.455(17) .
Eu3 O21 2.565(14) .
Eu3 O1 2.575(17) .
Eu3 C48 3.26(2) .
Eu3 Zn2 3.401(4) .
Eu3 Zn3 3.454(3) .
Zn1 O18 1.956(16) .
Zn1 O3 2.040(16) .
Zn1 O20 2.058(16) .
Zn1 N2 2.13(2) .
Zn1 O22 2.169(15) .
Zn1 O23 2.445(17) .
Zn2 O31 1.908(14) .
Zn2 O29 1.93(2) .
Zn2 O15 1.93(2) .
Zn2 O10 1.958(19) .
Zn3 O5 1.980(15) .
Zn3 O7 2.031(16) .
Zn3 N1 2.03(2) .
Zn3 O2 2.057(15) .
Zn3 O21 2.137(15) .
N1 C8 1.31(3) .
N1 C9 1.50(3) .
N2 C21 1.27(3) .
N2 C14 1.43(3) 3_766
O1 C2 1.38(3) .
O1 C1 1.48(3) .
O2 C7 1.41(3) .
O3 C27 1.33(3) .
O4 C26 1.39(3) .
O4 C28 1.50(3) .
O5 C39 1.28(2) .
O6 C39 1.29(2) .
O7 C37 1.30(3) .
O8 C37 1.25(3) .
O9 C42 1.26(3) .
O10 C42 1.16(3) .
O11 C48 1.19(2) .
O12 C48 1.32(3) .
O13 C54 1.22(3) .
O14 C54 1.24(3) .
O15 C46 1.29(4) .
O16 C46 1.21(4) .
O17 C50 1.28(2) .
O18 C50 1.21(2) .
O19 C52 1.21(3) .
O20 C52 1.32(3) .
O21 C34 1.36(2) .
O22 C35 1.36(3) .
O23 C30 1.30(3) .
O23 C29 1.54(4) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.37(3) .
C2 C7 1.42(3) .
C3 C4 1.21(4) .
C3 H3A 0.9300 .
C4 C5 1.49(4) .
C4 H4A 0.9300 .
C5 C6 1.45(4) .
C5 H5A 0.9300 .
C6 C7 1.25(3) .
C6 C8 1.46(3) .
C8 H8A 0.9300 .
C9 C10 1.27(3) .
C9 C18 1.45(3) .
C10 C11 1.49(3) .
C10 H10A 0.9300 .
C11 C12 1.41(3) .
C11 H11A 0.9300 .
C12 C13 1.38(3) .
C12 H12A 0.9300 .
C13 C14 1.38(3) .
C13 C18 1.46(3) .
C14 C15 1.39(3) .
C14 N2 1.43(3) 3_766
C15 C16 1.43(3) .
C15 H15A 0.9300 .
C16 C17 1.32(3) .
C16 H16A 0.9300 .
C17 C18 1.34(3) .
C17 H17A 0.9300 .
C21 C22 1.49(3) .
C21 H21A 0.9300 .
C22 C27 1.32(3) .
C22 C23 1.41(4) .
C23 C24 1.36(4) .
C23 H23A 0.9300 .
C24 C25 1.39(4) .
C24 H24A 0.9300 .
C25 C26 1.31(3) .
C25 H25A 0.9300 .
C26 C27 1.40(3) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 C35 1.36(3) .
C30 C31 1.39(3) .
C31 C32 1.34(3) .
C31 H31A 0.9300 .
C32 C33 1.49(3) .
C32 H32A 0.9300 .
C33 C34 1.36(3) .
C33 H33A 0.9300 .
C34 C35 1.40(3) .
C36 C37 1.46(4) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C38 C39 1.48(3) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C41 C42 1.59(4) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C43 C44 1.47(4) .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 O30 1.22(3) .
C44 O29 1.27(3) .
C45 C46 1.552(10) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C47 C48 1.57(3) .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C49 C50 1.45(3) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C51 C52 1.46(4) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C53 C54 1.53(3) .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.007 -0.001 -0.006 2107 1183 ' '
