# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1
_audit_creation_date             2014-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C42 H44 Eu2 Mn4 N6 O44), 28(H2 O)'
_chemical_formula_sum            'C84 H144 Eu4 Mn8 N12 O116'
_chemical_formula_weight         4225.41
_chemical_melting_point          ?
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'
Mn Mn 0.3368 0.7283 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.98163(14)
_cell_length_b                   24.4814(5)
_cell_length_c                   17.3224(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.3878(15)
_cell_angle_gamma                90.00
_cell_volume                     3757.89(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9731
_cell_measurement_temperature    120
_cell_measurement_theta_max      29.2109
_cell_measurement_theta_min      2.4190
_exptl_absorpt_coefficient_mu    2.416
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.36.21
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.876
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhomboidal
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            17243
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.41
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0404125533
_diffrn_orient_matrix_UB_12      0.0196517847
_diffrn_orient_matrix_UB_13      -0.0181238786
_diffrn_orient_matrix_UB_21      -0.0013994184
_diffrn_orient_matrix_UB_22      0.0176354217
_diffrn_orient_matrix_UB_23      0.0326133492
_diffrn_orient_matrix_UB_31      0.0691020627
_diffrn_orient_matrix_UB_32      -0.0111539701
_diffrn_orient_matrix_UB_33      0.0196690596
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5539
_reflns_number_total             6617
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.591
_refine_diff_density_min         -1.121
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         6617
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0420
_refine_ls_restrained_S_all      1.097
_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)+(0.0292P)²+28.9287P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.0984
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

ISOR 0.005 0.01 O6 O11 O7 O12 O8 O4
EADP O7 O12
EADP O6 O11
EADP O8 O4
EADP O3 O10
EADP O9 O5

;

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
O6AA O 0.7053(4) 0.05014(17) 0.4906(2) 0.0134(9) Uani 1 1 d . . . .
Eu1 Eu 1.03542(3) 0.184837(12) 0.569323(16) 0.00750(9) Uani 1 1 d . . . .
Mn2 Mn 1.49812(9) 0.08761(4) 0.41771(5) 0.0112(2) Uani 1 1 d . . . .
Mn3 Mn 0.51546(10) 0.33212(4) 0.50143(5) 0.0159(2) Uani 1 1 d . . . .
O100 O 0.8928(5) 0.17974(17) 0.6778(2) 0.0157(9) Uani 1 1 d . . . .
O O 0.8296(5) 0.24812(17) 0.5264(2) 0.0149(9) Uani 1 1 d . . . .
O0AA O 1.2627(5) 0.15837(17) 0.6598(2) 0.0151(9) Uani 1 1 d . . . .
O1AA O 1.1844(4) 0.13663(16) 0.4837(2) 0.0111(9) Uani 1 1 d . . . .
O2AA O 0.9649(5) 0.26895(18) 0.1963(2) 0.0177(10) Uani 1 1 d . . . .
H2AA H 0.8989 0.2923 0.1868 0.027 Uiso 1 1 calc . . GR .
O101 O 1.2099(4) 0.25662(17) 0.5449(2) 0.0157(9) Uani 1 1 d . . . .
O3AA O 0.7000(5) 0.30564(17) 0.4386(2) 0.0174(10) Uani 1 1 d . . . .
C6AA C 1.1615(6) 0.3040(2) 0.6577(3) 0.0113(13) Uani 1 1 d . . . .
O5BA O 1.1177(4) 0.39099(17) 0.8231(2) 0.0153(9) Uani 1 1 d . . . .
O4AA O 0.8250(4) 0.12844(17) 0.5163(2) 0.0136(9) Uani 1 1 d . . . .
O5AA O 1.2703(4) 0.12425(17) 0.3691(2) 0.0133(9) Uani 1 1 d . . . .
C0BA C 0.8903(6) 0.2492(2) 0.3973(3) 0.0122(13) Uani 1 1 d . . . .
N N 1.0525(5) 0.0869(2) 0.6098(3) 0.0105(10) Uani 1 1 d . . . .
C2BA C 1.1774(6) 0.0677(2) 0.6571(3) 0.0113(12) Uani 1 1 d . . . .
N0AA N 0.9864(5) 0.2095(2) 0.4235(3) 0.0097(10) Uani 1 1 d . . . .
O7AA O 1.0996(5) -0.07650(17) 0.6526(3) 0.0215(10) Uani 1 1 d . . . .
H7AA H 1.1891 -0.0846 0.6641 0.032 Uiso 1 1 calc . . GR .
O8AA O 1.5376(5) 0.16177(18) 0.4856(3) 0.0219(10) Uani 1 1 d . . D .
C7BA C 0.7988(6) 0.2700(2) 0.4578(3) 0.0113(12) Uani 1 1 d . . . .
C8BA C 1.1805(7) 0.3482(3) 0.7086(4) 0.0155(13) Uani 1 1 d . . . .
H8BA H 1.2448 0.3766 0.7002 0.019 Uiso 1 1 calc . . R .
O9AA O 1.4344(6) 0.0131(2) 0.3533(3) 0.0306(12) Uani 1 1 d . . D .
C0CA C 1.0731(6) 0.1889(2) 0.3736(3) 0.0095(12) Uani 1 1 d . . . .
N1AA N 1.0726(5) 0.2617(2) 0.6670(3) 0.0117(10) Uani 1 1 d . . . .
C3CA C 1.2403(6) 0.2989(2) 0.5869(3) 0.0110(12) Uani 1 1 d . . . .
C4CA C 0.9438(6) 0.0518(2) 0.5798(3) 0.0097(12) Uani 1 1 d . . . .
C5CA C 0.9537(6) -0.0028(2) 0.5951(3) 0.0128(13) Uani 1 1 d . . . .
H5CA H 0.8753 -0.0262 0.5753 0.015 Uiso 1 1 calc . . R .
C6CA C 1.0062(6) 0.3060(2) 0.7809(3) 0.0110(12) Uani 1 1 d . . . .
H6CA H 0.9492 0.3054 0.8211 0.013 Uiso 1 1 calc . . R .
C7CA C 0.9687(6) 0.2500(2) 0.2701(3) 0.0121(12) Uani 1 1 d . . . .
C9CA C 0.8758(6) 0.2709(3) 0.3214(3) 0.0142(13) Uani 1 1 d . . . .
H9CA H 0.8064 0.2985 0.3053 0.017 Uiso 1 1 calc . . R .
C0DA C 0.8992(6) 0.2136(2) 0.7342(3) 0.0118(12) Uani 1 1 d . . . .
C1DA C 0.8134(6) 0.0783(2) 0.5248(3) 0.0121(13) Uani 1 1 d . . . .
C2DA C 1.1840(6) 0.1466(2) 0.4106(3) 0.0120(13) Uani 1 1 d . . . .
C3DA C 1.0864(6) -0.0229(2) 0.6419(4) 0.0142(13) Uani 1 1 d . . . .
C4DA C 1.1018(6) 0.3500(2) 0.7732(3) 0.0125(13) Uani 1 1 d . . . .
C5DA C 1.1981(6) 0.0137(3) 0.6748(4) 0.0151(13) Uani 1 1 d . . . .
H5DA H 1.2840 0.0016 0.7077 0.018 Uiso 1 1 calc . . R .
O0BA O 0.3990(5) 0.25868(18) 0.4439(2) 0.0163(9) Uani 1 1 d . . D .
O1BA O 1.3926(5) 0.05683(17) 0.5173(3) 0.0167(9) Uani 1 1 d . . D .
O6BA O 1.3289(4) 0.33557(17) 0.5726(2) 0.0159(9) Uani 1 1 d . . . .
O2BA O 0.6323(5) 0.29015(19) 0.6059(3) 0.0213(10) Uani 1 1 d . . D .
O7BA O 0.8326(5) 0.20864(18) 0.7924(2) 0.0166(9) Uani 1 1 d . . . .
O3BA O 0.3852(6) 0.3754(2) 0.4026(3) 0.0401(14) Uani 1 1 d . . D .
C2EA C 1.0672(6) 0.2075(2) 0.2973(3) 0.0125(12) Uani 1 1 d . . . .
H2EA H 1.1283 0.1919 0.2648 0.015 Uiso 1 1 calc . . R .
C3EA C 0.9973(6) 0.2632(2) 0.7282(3) 0.0118(12) Uani 1 1 d . . . .
O4BA O 0.6046(8) 0.4068(3) 0.5461(4) 0.0518(16) Uani 1 1 d . . D .
O4CA O 1.4129(5) 0.09773(19) 0.7313(3) 0.0270(11) Uani 1 1 d . . . .
C0AA C 1.2959(7) 0.1101(3) 0.6861(3) 0.0142(13) Uani 1 1 d . . . .
H8AA H 1.6299(17) 0.1711(15) 0.498(4) 0.021 Uiso 1 1 d . . DR .
H8AB H 1.489(5) 0.1900(9) 0.468(3) 0.021 Uiso 1 1 d . . DR .
H9AA H 1.451(7) -0.0173(8) 0.3770(17) 0.021 Uiso 1 1 d . . DR .
H9AB H 1.456(7) 0.0102(14) 0.3075(15) 0.021 Uiso 1 1 d . . DR .
H0BA H 0.325(4) 0.251(2) 0.467(2) 0.021 Uiso 1 1 d . . DR .
H0BB H 0.365(5) 0.266(2) 0.3964(12) 0.021 Uiso 1 1 d . . DR .
H1BA H 1.363(6) 0.0241(8) 0.512(3) 0.021 Uiso 1 1 d . . DR .
H1BB H 1.322(4) 0.0770(13) 0.528(3) 0.021 Uiso 1 1 d . . DR .
H2BA H 0.574(3) 0.2690(17) 0.626(3) 0.021 Uiso 1 1 d . . DR .
H2BB H 0.707(4) 0.2715(18) 0.595(3) 0.021 Uiso 1 1 d . . DR .
H3BA H 0.330(6) 0.3595(11) 0.365(2) 0.021 Uiso 1 1 d . . DR .
H3BB H 0.360(6) 0.4086(9) 0.406(2) 0.021 Uiso 1 1 d . . DR .
H4BA H 0.629(6) 0.4269(19) 0.5101(18) 0.021 Uiso 1 1 d . . DR .
H4BB H 0.683(4) 0.4018(18) 0.580(3) 0.021 Uiso 1 1 d . . DR .
O1 O 1.2877(6) -0.0906(2) 0.3031(4) 0.0433(14) Uani 1 1 d . . . .
H1A H 1.3783 -0.0970 0.3242 0.065 Uiso 1 1 d . . G .
H1B H 1.2327 -0.1178 0.3100 0.065 Uiso 1 1 d . . G .
O2 O 0.4046(9) 0.4694(3) 0.3089(5) 0.072(2) Uani 1 1 d . . . .
H2A H 0.3164 0.4745 0.3193 0.108 Uiso 1 1 d . . G .
H2B H 0.4277 0.4954 0.2807 0.108 Uiso 1 1 d . . G .
O3 O 0.7197(11) 0.4252(4) 0.7085(5) 0.068(3) Uani 0.75 1 d . . . .
O4 O 1.1729(11) 0.4335(4) 0.5398(6) 0.070(3) Uani 0.75 1 d . . . U
O5 O 0.6902(12) 0.4705(4) 0.4226(7) 0.087(3) Uani 0.75 1 d . . . .
O6 O 1.4755(15) 0.0668(6) 0.8946(7) 0.104(4) Uani 0.75 1 d . . . U
O7 O 1.4661(13) 0.0249(5) 0.1767(7) 0.094(3) Uani 0.75 1 d . . . U
O8 O 1.211(3) 0.4768(12) 0.5982(18) 0.070(3) Uani 0.25 1 d . . . U
O9 O 0.521(4) 0.4977(14) 0.461(2) 0.087(3) Uani 0.25 1 d . . . .
O10 O 0.484(3) 0.4407(12) 0.6870(16) 0.068(3) Uani 0.25 1 d . . . .
O11 O 1.347(4) 0.0883(17) 0.894(2) 0.104(4) Uani 0.25 1 d . . . U
O12 O 1.427(4) 0.0557(15) 0.112(2) 0.094(3) Uani 0.25 1 d . . . U


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O6AA Mn2 2.266(4) 1_455 ?
O6AA C1DA 1.257(7) . ?
Eu1 O100 2.444(4) . ?
Eu1 O 2.434(4) . ?
Eu1 O0AA 2.450(4) . ?
Eu1 O1AA 2.455(4) . ?
Eu1 O101 2.437(4) . ?
Eu1 O4AA 2.400(4) . ?
Eu1 N 2.497(5) . ?
Eu1 N0AA 2.564(5) . ?
Eu1 N1AA 2.516(5) . ?
Mn2 O6AA 2.266(4) 1_655 ?
Mn2 O5BA 2.166(4) 4_665 ?
Mn2 O5AA 2.266(4) . ?
Mn2 O8AA 2.161(5) . ?
Mn2 O9AA 2.166(5) . ?
Mn2 O1BA 2.231(4) . ?
Mn3 O3AA 2.223(4) . ?
Mn3 O0BA 2.231(4) . ?
Mn3 O6BA 2.237(4) 1_455 ?
Mn3 O2BA 2.194(5) . ?
Mn3 O3BA 2.184(5) . ?
Mn3 O4BA 2.094(6) . ?
O100 C0DA 1.277(7) . ?
O C7BA 1.291(7) . ?
O0AA C0AA 1.283(7) . ?
O1AA C2DA 1.290(7) . ?
O2AA C7CA 1.356(7) . ?
O101 C3CA 1.269(7) . ?
O3AA C7BA 1.250(7) . ?
C6AA C8BA 1.388(8) . ?
C6AA N1AA 1.334(7) . ?
C6AA C3CA 1.519(8) . ?
O5BA Mn2 2.166(4) 4_566 ?
O5BA C4DA 1.316(7) . ?
O4AA C1DA 1.243(7) . ?
O5AA C2DA 1.264(7) . ?
C0BA N0AA 1.330(8) . ?
C0BA C7BA 1.521(8) . ?
C0BA C9CA 1.403(8) . ?
N C2BA 1.361(7) . ?
N C4CA 1.339(7) . ?
C2BA C5DA 1.362(9) . ?
C2BA C0AA 1.513(8) . ?
N0AA C0CA 1.353(7) . ?
O7AA C3DA 1.329(7) . ?
C8BA C4DA 1.418(8) . ?
C0CA C2DA 1.506(8) . ?
C0CA C2EA 1.390(8) . ?
N1AA C3EA 1.348(7) . ?
C3CA O6BA 1.251(7) . ?
C4CA C5CA 1.362(8) . ?
C4CA C1DA 1.528(8) . ?
C5CA C3DA 1.415(8) . ?
C6CA C4DA 1.399(8) . ?
C6CA C3EA 1.381(8) . ?
C7CA C9CA 1.410(8) . ?
C7CA C2EA 1.396(8) . ?
C0DA O7BA 1.259(7) . ?
C0DA C3EA 1.514(8) . ?
C3DA C5DA 1.395(9) . ?
O6BA Mn3 2.237(4) 1_655 ?
O4CA C0AA 1.242(7) . ?
O4 O8 1.47(3) . ?
O5 O8 1.64(3) 3_766 ?
O6 O11 1.26(4) . ?
O7 O12 1.34(4) . ?
O8 O5 1.64(3) 3_766 ?
O9 O9 1.47(7) 3_666 ?

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
_geom_angle_publ_flag
C1DA O6AA Mn2 122.8(4) . 1_455 ?
O100 Eu1 O0AA 88.93(14) . . ?
O100 Eu1 O1AA 147.71(14) . . ?
O100 Eu1 N 75.60(15) . . ?
O100 Eu1 N0AA 137.90(14) . . ?
O100 Eu1 N1AA 63.23(14) . . ?
O Eu1 O100 78.48(14) . . ?
O Eu1 O0AA 151.19(14) . . ?
O Eu1 O1AA 125.65(13) . . ?
O Eu1 O101 88.03(14) . . ?
O Eu1 N 134.95(15) . . ?
O Eu1 N0AA 63.19(14) . . ?
O Eu1 N1AA 74.97(15) . . ?
O0AA Eu1 O1AA 77.30(13) . . ?
O0AA Eu1 N 63.87(14) . . ?
O0AA Eu1 N0AA 133.15(14) . . ?
O0AA Eu1 N1AA 76.23(15) . . ?
O1AA Eu1 N 72.12(14) . . ?
O1AA Eu1 N0AA 62.70(13) . . ?
O1AA Eu1 N1AA 137.74(14) . . ?
O101 Eu1 O100 127.08(13) . . ?
O101 Eu1 O0AA 79.01(14) . . ?
O101 Eu1 O1AA 79.20(13) . . ?
O101 Eu1 N 136.85(14) . . ?
O101 Eu1 N0AA 70.79(14) . . ?
O101 Eu1 N1AA 63.85(14) . . ?
O4AA Eu1 O100 77.64(13) . . ?
O4AA Eu1 O 74.79(14) . . ?
O4AA Eu1 O0AA 127.96(14) . . ?
O4AA Eu1 O1AA 87.98(13) . . ?
O4AA Eu1 O101 146.84(14) . . ?
O4AA Eu1 N 64.10(14) . . ?
O4AA Eu1 N0AA 76.14(14) . . ?
O4AA Eu1 N1AA 134.24(14) . . ?
N Eu1 N0AA 119.71(15) . . ?
N Eu1 N1AA 122.29(15) . . ?
N1AA Eu1 N0AA 117.97(15) . . ?
O6AA Mn2 O5AA 167.68(15) 1_655 . ?
O5BA Mn2 O6AA 93.20(15) 4_665 1_655 ?
O5BA Mn2 O5AA 98.75(15) 4_665 . ?
O5BA Mn2 O9AA 86.34(18) 4_665 . ?
O5BA Mn2 O1BA 173.18(16) 4_665 . ?
O8AA Mn2 O6AA 89.42(16) . 1_655 ?
O8AA Mn2 O5BA 98.71(17) . 4_665 ?
O8AA Mn2 O5AA 85.86(16) . . ?
O8AA Mn2 O9AA 173.74(19) . . ?
O8AA Mn2 O1BA 85.14(17) . . ?
O9AA Mn2 O6AA 94.00(17) . 1_655 ?
O9AA Mn2 O5AA 89.74(17) . . ?
O9AA Mn2 O1BA 90.21(19) . . ?
O1BA Mn2 O6AA 81.15(15) . 1_655 ?
O1BA Mn2 O5AA 87.11(15) . . ?
O3AA Mn3 O0BA 83.06(16) . . ?
O3AA Mn3 O6BA 164.99(16) . 1_455 ?
O0BA Mn3 O6BA 86.41(15) . 1_455 ?
O2BA Mn3 O3AA 88.44(15) . . ?
O2BA Mn3 O0BA 96.73(17) . . ?
O2BA Mn3 O6BA 82.18(16) . 1_455 ?
O3BA Mn3 O3AA 96.00(19) . . ?
O3BA Mn3 O0BA 83.61(19) . . ?
O3BA Mn3 O6BA 93.4(2) . 1_455 ?
O3BA Mn3 O2BA 175.6(2) . . ?
O4BA Mn3 O3AA 99.5(2) . . ?
O4BA Mn3 O0BA 172.8(2) . . ?
O4BA Mn3 O6BA 92.2(2) . 1_455 ?
O4BA Mn3 O2BA 90.1(2) . . ?
O4BA Mn3 O3BA 89.4(2) . . ?
C0DA O100 Eu1 126.3(4) . . ?
C7BA O Eu1 125.7(3) . . ?
C0AA O0AA Eu1 126.2(4) . . ?
C2DA O1AA Eu1 126.0(4) . . ?
C3CA O101 Eu1 125.0(4) . . ?
C7BA O3AA Mn3 128.8(4) . . ?
C8BA C6AA C3CA 123.4(5) . . ?
N1AA C6AA C8BA 122.9(5) . . ?
N1AA C6AA C3CA 113.7(5) . . ?
C4DA O5BA Mn2 131.9(4) . 4_566 ?
C1DA O4AA Eu1 126.8(4) . . ?
C2DA O5AA Mn2 124.1(4) . . ?
N0AA C0BA C7BA 113.7(5) . . ?
N0AA C0BA C9CA 123.5(5) . . ?
C9CA C0BA C7BA 122.8(5) . . ?
C2BA N Eu1 120.5(4) . . ?
C4CA N Eu1 119.9(4) . . ?
C4CA N C2BA 119.3(5) . . ?
N C2BA C5DA 122.6(5) . . ?
N C2BA C0AA 115.4(5) . . ?
C5DA C2BA C0AA 121.9(5) . . ?
C0BA N0AA Eu1 120.4(4) . . ?
C0BA N0AA C0CA 117.6(5) . . ?
C0CA N0AA Eu1 121.2(4) . . ?
O C7BA C0BA 115.9(5) . . ?
O3AA C7BA O 124.8(5) . . ?
O3AA C7BA C0BA 119.3(5) . . ?
C6AA C8BA C4DA 120.0(5) . . ?
N0AA C0CA C2DA 113.2(5) . . ?
N0AA C0CA C2EA 123.3(5) . . ?
C2EA C0CA C2DA 123.4(5) . . ?
C6AA N1AA Eu1 121.0(4) . . ?
C6AA N1AA C3EA 117.4(5) . . ?
C3EA N1AA Eu1 121.5(4) . . ?
O101 C3CA C6AA 116.4(5) . . ?
O6BA C3CA O101 123.8(5) . . ?
O6BA C3CA C6AA 119.8(5) . . ?
N C4CA C5CA 122.2(5) . . ?
N C4CA C1DA 114.0(5) . . ?
C5CA C4CA C1DA 123.8(5) . . ?
C4CA C5CA C3DA 118.3(6) . . ?
C3EA C6CA C4DA 119.4(5) . . ?
O2AA C7CA C9CA 122.9(5) . . ?
O2AA C7CA C2EA 119.3(5) . . ?
C2EA C7CA C9CA 117.7(5) . . ?
C0BA C9CA C7CA 118.6(5) . . ?
O100 C0DA C3EA 115.0(5) . . ?
O7BA C0DA O100 125.6(5) . . ?
O7BA C0DA C3EA 119.4(5) . . ?
O6AA C1DA C4CA 121.0(5) . . ?
O4AA C1DA O6AA 123.9(5) . . ?
O4AA C1DA C4CA 115.0(5) . . ?
O1AA C2DA C0CA 116.3(5) . . ?
O5AA C2DA O1AA 125.0(5) . . ?
O5AA C2DA C0CA 118.7(5) . . ?
O7AA C3DA C5CA 118.1(5) . . ?
O7AA C3DA C5DA 122.4(5) . . ?
C5DA C3DA C5CA 119.5(5) . . ?
O5BA C4DA C8BA 121.9(5) . . ?
O5BA C4DA C6CA 121.8(5) . . ?
C6CA C4DA C8BA 116.3(5) . . ?
C2BA C5DA C3DA 117.9(5) . . ?
C3CA O6BA Mn3 129.8(4) . 1_655 ?
C0CA C2EA C7CA 119.3(5) . . ?
N1AA C3EA C6CA 124.0(5) . . ?
N1AA C3EA C0DA 113.8(5) . . ?
C6CA C3EA C0DA 122.2(5) . . ?
O0AA C0AA C2BA 113.9(5) . . ?
O4CA C0AA O0AA 124.9(6) . . ?
O4CA C0AA C2BA 121.2(6) . . ?
O4 O8 O5 120(2) . 3_766 ?

_database_code_depnum_ccdc_archive 'CCDC 981839'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2
_audit_creation_date             2014-01-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'2(C42 H44 Eu2 Mn4 N6 O44), 4(H2 O), 1.33(C2 O H6)'
_chemical_formula_sum            'C86.67 H104 Eu4 Mn8 N12 O93.33'
_chemical_formula_weight         3854.46
_chemical_melting_point          ?
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'
Mn Mn 0.3368 0.7283 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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'

_cell_length_a                   9.0190(11)
_cell_length_b                   24.563(5)
_cell_length_c                   17.339(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.422(12)
_cell_angle_gamma                90
_cell_volume                     3789.4(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2892
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8196
_cell_measurement_theta_min      2.3963
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.377
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.36.21
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rhomboidal
_exptl_crystal_F_000             1891
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1470
_diffrn_reflns_av_unetI/netI     0.2316
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13965
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         2.435
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0306182000
_diffrn_orient_matrix_UB_12      -0.0114675000
_diffrn_orient_matrix_UB_13      -0.0367077000
_diffrn_orient_matrix_UB_21      -0.0253855000
_diffrn_orient_matrix_UB_22      -0.0227997000
_diffrn_orient_matrix_UB_23      0.0192727000
_diffrn_orient_matrix_UB_31      -0.0691387000
_diffrn_orient_matrix_UB_32      0.0134842000
_diffrn_orient_matrix_UB_33      0.0013437000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3651
_reflns_number_total             6649
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
?
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.130
_refine_diff_density_min         -1.808
_refine_diff_density_rms         0.237
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         6649
_refine_ls_number_restraints     130
_refine_ls_R_factor_all          0.1704
_refine_ls_R_factor_gt           0.1031
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0696P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2062
_refine_ls_wR_factor_ref         0.2484
_refine_special_details          
;
  Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

DFIX 1.5 C44 C29
DFIX 1.3 C29 O4
DFIX 2.4 O4 C44
SIMU O4 C29 C44
ISOR 0.005 0.01 O7EA O4 C29 C44 C1EA C2EA C6DA C2BA C8CA C2CA C2DA C3DA C5CA C4EA N O O7AA1 O5AA O10
;

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.04004(9) 0.18495(3) 0.57814(5) 0.0206(3) Uani 1 1 d . . . . .
Mn2 Mn 0.4991(2) 0.08970(10) 0.42247(15) 0.0267(6) Uani 1 1 d . . . . .
Mn3 Mn -0.4764(3) 0.33220(12) 0.51706(16) 0.0362(7) Uani 1 1 d . . . . .
O O -0.1006(11) 0.1782(4) 0.6877(6) 0.030(3) Uani 1 1 d . U . . .
O0AA O -0.1601(11) 0.2492(4) 0.5396(6) 0.029(3) Uani 1 1 d . . . . .
O1AA O 0.2750(11) 0.1283(4) 0.3811(6) 0.029(3) Uani 1 1 d . . . . .
O2AA O 0.0960(12) -0.0797(4) 0.6438(7) 0.035(3) Uani 1 1 d . . . . .
H2AA H 0.1458 -0.0911 0.6116 0.052 Uiso 1 1 calc GR . . . .
O3AA O -0.1729(11) 0.1305(4) 0.5232(6) 0.029(3) Uani 1 1 d . . . . .
O4AA O -0.2943(10) 0.0525(5) 0.4936(6) 0.030(3) Uani 1 1 d . . . . .
O5AA O 0.2589(10) 0.1566(4) 0.6697(6) 0.025(3) Uani 1 1 d . U . . .
O6AA O 0.2170(11) 0.2570(4) 0.5545(6) 0.023(2) Uani 1 1 d . . . . .
O7AA O 0.1906(10) 0.1391(4) 0.4930(6) 0.023(2) Uani 1 1 d . U . . .
O8AA O 0.1207(11) 0.3903(5) 0.8300(7) 0.036(3) Uani 1 1 d . . . . .
O9AA O 0.3362(12) 0.3347(5) 0.5853(7) 0.038(3) Uani 1 1 d . . . . .
C2BA C 0.1690(16) 0.3028(6) 0.6663(9) 0.024(4) Uani 1 1 d . U . . .
O9BA O -0.1571(13) 0.2056(5) 0.7990(7) 0.044(3) Uani 1 1 d . . . . .
O0BA O 0.3920(12) 0.0576(5) 0.5196(7) 0.046(3) Uani 1 1 d . . . . .
H0BA H 0.4101 0.0790 0.5594 0.068 Uiso 1 1 d GR . . . .
H0BB H 0.4273 0.0257 0.5332 0.068 Uiso 1 1 d GR . . . .
O1BA O 0.4362(16) 0.0118(5) 0.3662(9) 0.067(4) Uani 1 1 d . . . . .
H1BA H 0.4277 0.0149 0.3150 0.101 Uiso 1 1 d GR . . . .
H1BB H 0.3490 0.0004 0.3767 0.101 Uiso 1 1 d GR . . . .
O2BA O -0.6011(11) 0.2638(5) 0.4533(6) 0.032(3) Uani 1 1 d . . . . .
H2BA H -0.5478 0.2329 0.4574 0.048 Uiso 1 1 d GR . . . .
H2BB H -0.6248 0.2712 0.4023 0.048 Uiso 1 1 d GR . . . .
N N 0.0782(13) 0.2601(5) 0.6744(7) 0.023(3) Uani 1 1 d . U . . .
N0AA N -0.0097(13) 0.2102(5) 0.4348(7) 0.022(3) Uani 1 1 d . . . . .
O3BA O 0.5435(12) 0.1645(5) 0.4863(7) 0.046(3) Uani 1 1 d . . . . .
H3BA H 0.5937 0.1586 0.5336 0.069 Uiso 1 1 d GR . . . .
H3BB H 0.4589 0.1809 0.4916 0.069 Uiso 1 1 d GR . . . .
N1AA N 0.0497(12) 0.0861(6) 0.6120(8) 0.029(3) Uani 1 1 d . . . . .
O4BA O -0.3751(13) 0.2812(6) 0.6138(8) 0.055(4) Uani 1 1 d . . . . .
H4BA H -0.3370 0.3007 0.6563 0.082 Uiso 1 1 d GR . . . .
H4BB H -0.2993 0.2612 0.6012 0.082 Uiso 1 1 d GR . . . .
C2CA C 0.0773(16) 0.1917(6) 0.3847(9) 0.021(3) Uani 1 1 d . U . . .
C3CA C 0.1849(15) 0.1491(6) 0.4193(9) 0.020(3) Uani 1 1 d . . . . .
C4CA C -0.1224(17) 0.2746(7) 0.3369(10) 0.036(4) Uani 1 1 d . . . . .
H4CA H -0.1919 0.3022 0.3218 0.043 Uiso 1 1 calc R . . . .
C5CA C 0.1729(17) 0.0662(7) 0.6586(10) 0.032(4) Uani 1 1 d . U . . .
C6CA C 0.0830(16) -0.0261(7) 0.6375(9) 0.026(4) Uani 1 1 d . . . . .
C7CA C 0.0110(17) 0.3018(7) 0.7903(10) 0.030(4) Uani 1 1 d . . . . .
H7CA H -0.0445 0.2997 0.8309 0.036 Uiso 1 1 calc R . . . .
C8CA C 0.0677(16) 0.2109(6) 0.3099(9) 0.024(4) Uani 1 1 d . U . . .
H8CA H 0.1263 0.1958 0.2761 0.029 Uiso 1 1 calc R . . . .
C9CA C 0.0024(16) 0.2593(6) 0.7347(9) 0.023(4) Uani 1 1 d . . . . .
C0DA C -0.0291(16) 0.2527(6) 0.2856(8) 0.021(4) Uani 1 1 d . . . . .
C1DA C -0.1961(17) 0.2711(7) 0.4703(9) 0.028(4) Uani 1 1 d . . . . .
C2DA C -0.1017(15) 0.2520(6) 0.4099(9) 0.018(3) Uani 1 1 d . U . . .
C3DA C 0.2854(17) 0.1080(7) 0.6900(10) 0.030(4) Uani 1 1 d . U . . .
O5BA O 0.4011(14) 0.0924(6) 0.7391(9) 0.068(5) Uani 1 1 d . . . . .
C5DA C 0.1925(16) 0.0108(6) 0.6706(9) 0.025(4) Uani 1 1 d . . . . .
H5DA H 0.2800 -0.0019 0.7012 0.029 Uiso 1 1 calc R . . . .
C6DA C 0.1875(17) 0.3466(7) 0.7174(9) 0.030(4) Uani 1 1 d . U . . .
H6DA H 0.2517 0.3750 0.7097 0.036 Uiso 1 1 calc R . . . .
C7DA C 0.1042(16) 0.3479(7) 0.7842(10) 0.032(4) Uani 1 1 d . . . . .
C8DA C -0.1879(16) 0.0796(7) 0.5270(10) 0.026(4) Uani 1 1 d . . . . .
C1EA C -0.0568(16) 0.0509(6) 0.5815(9) 0.023(4) Uani 1 1 d . U . . .
C2EA C -0.0475(15) -0.0051(6) 0.5934(9) 0.021(4) Uani 1 1 d . U . . .
H2EA H -0.1262 -0.0279 0.5724 0.025 Uiso 1 1 calc R . . . .
C3EA C -0.0916(16) 0.2123(7) 0.7420(10) 0.030(4) Uani 1 1 d . . . . .
C4EA C 0.2462(17) 0.2996(7) 0.5977(9) 0.025(4) Uani 1 1 d . U . . .
O6BA O -0.5831(19) 0.3852(7) 0.4221(10) 0.105(7) Uani 1 1 d . . . . .
H6BA H -0.5281 0.4190 0.4149 0.157 Uiso 1 1 d GR . . . .
H6BB H -0.6859 0.3994 0.4254 0.157 Uiso 1 1 d GR . . . .
O7BA O -0.3620(18) 0.4028(7) 0.5729(11) 0.112(7) Uani 1 1 d . . . . .
H7BA H -0.2987 0.4033 0.6211 0.168 Uiso 1 1 d GR . . . .
H7BB H -0.3672 0.4382 0.5531 0.168 Uiso 1 1 d GR . . . .
O7EA O -0.798(3) 0.4108(10) 0.1983(16) 0.104(8) Uani 0.75 1 d . U P . .
O8BA O -0.2968(12) 0.3065(5) 0.4531(7) 0.037(3) Uani 1 1 d . . . . .
O0CA O -0.0348(12) 0.2722(5) 0.2119(6) 0.036(3) Uani 1 1 d . . . . .
H0CA H -0.1146 0.2882 0.1984 0.054 Uiso 1 1 calc GR . . . .
C29 C -0.887(8) 0.416(2) 0.389(4) 0.098(12) Uani 0.3333 1 d D U P . .
C44 C -0.994(8) 0.407(3) 0.445(4) 0.098(12) Uani 0.3333 1 d D U P . .
O4 O -0.847(5) 0.377(2) 0.345(3) 0.098(12) Uani 0.3333 1 d D U P . .
O10 O -0.314(6) 0.427(2) 0.719(4) 0.070(18) Uani 0.25 1 d . U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O 2.457(10) . ?
Eu1 O0AA 2.408(10) . ?
Eu1 O3AA 2.406(10) . ?
Eu1 O5AA 2.424(9) . ?
Eu1 O6AA 2.462(10) . ?
Eu1 O7AA 2.439(10) . ?
Eu1 N 2.474(13) . ?
Eu1 N0AA 2.529(12) . ?
Eu1 N1AA 2.497(14) . ?
Mn2 O1AA 2.241(10) . ?
Mn2 O4AA 2.253(9) 1_655 ?
Mn2 O8AA 2.142(11) 4_665 ?
Mn2 O0BA 2.219(11) . ?
Mn2 O1BA 2.180(14) . ?
Mn2 O3BA 2.149(12) . ?
Mn3 O9AA 2.217(11) 1_455 ?
Mn3 O2BA 2.214(11) . ?
Mn3 O4BA 2.172(13) . ?
Mn3 O6BA 2.194(16) . ?
Mn3 O7BA 2.164(18) . ?
Mn3 O8BA 2.200(11) . ?
O C3EA 1.252(18) . ?
O0AA C1DA 1.309(18) . ?
O1AA C3CA 1.239(16) . ?
O2AA C6CA 1.327(18) . ?
O3AA C8DA 1.259(18) . ?
O4AA Mn2 2.253(9) 1_455 ?
O4AA C8DA 1.231(18) . ?
O5AA C3DA 1.256(18) . ?
O6AA C4EA 1.289(17) . ?
O7AA C3CA 1.295(17) . ?
O8AA Mn2 2.142(11) 4_566 ?
O8AA C7DA 1.31(2) . ?
O9AA Mn3 2.217(11) 1_655 ?
O9AA C4EA 1.227(18) . ?
C2BA N 1.352(18) . ?
C2BA C6DA 1.39(2) . ?
C2BA C4EA 1.48(2) . ?
O9BA C3EA 1.242(18) . ?
N C9CA 1.341(18) . ?
N0AA C2CA 1.342(18) . ?
N0AA C2DA 1.346(18) . ?
N1AA C5CA 1.354(19) . ?
N1AA C1EA 1.334(19) . ?
C2CA C3CA 1.48(2) . ?
C2CA C8CA 1.37(2) . ?
C4CA C0DA 1.43(2) . ?
C4CA C2DA 1.37(2) . ?
C5CA C3DA 1.48(2) . ?
C5CA C5DA 1.38(2) . ?
C6CA C5DA 1.39(2) . ?
C6CA C2EA 1.39(2) . ?
C7CA C9CA 1.41(2) . ?
C7CA C7DA 1.42(2) . ?
C8CA C0DA 1.37(2) . ?
C9CA C3EA 1.45(2) . ?
C0DA O0CA 1.358(17) . ?
C1DA C2DA 1.53(2) . ?
C1DA O8BA 1.258(19) . ?
C3DA O5BA 1.293(19) . ?
C6DA C7DA 1.48(2) . ?
C8DA C1EA 1.56(2) . ?
C1EA C2EA 1.39(2) . ?
C29 C44 1.49(2) . ?
C29 O4 1.30(2) . ?

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
_geom_angle_publ_flag
O Eu1 O6AA 127.5(3) . . ?
O Eu1 N 64.0(4) . . ?
O Eu1 N0AA 138.2(4) . . ?
O Eu1 N1AA 75.8(4) . . ?
O0AA Eu1 O 78.5(3) . . ?
O0AA Eu1 O5AA 149.6(4) . . ?
O0AA Eu1 O6AA 87.7(3) . . ?
O0AA Eu1 O7AA 127.0(3) . . ?
O0AA Eu1 N 73.4(4) . . ?
O0AA Eu1 N0AA 64.1(4) . . ?
O0AA Eu1 N1AA 134.3(4) . . ?
O3AA Eu1 O 77.8(4) . . ?
O3AA Eu1 O0AA 75.0(4) . . ?
O3AA Eu1 O5AA 127.7(4) . . ?
O3AA Eu1 O6AA 146.2(4) . . ?
O3AA Eu1 O7AA 89.5(3) . . ?
O3AA Eu1 N 134.1(4) . . ?
O3AA Eu1 N0AA 75.3(4) . . ?
O3AA Eu1 N1AA 63.0(4) . . ?
O5AA Eu1 O 86.7(3) . . ?
O5AA Eu1 O6AA 80.5(3) . . ?
O5AA Eu1 O7AA 77.8(3) . . ?
O5AA Eu1 N 76.3(4) . . ?
O5AA Eu1 N0AA 135.1(4) . . ?
O5AA Eu1 N1AA 64.8(4) . . ?
O6AA Eu1 N 63.5(4) . . ?
O6AA Eu1 N0AA 71.1(4) . . ?
O6AA Eu1 N1AA 137.7(3) . . ?
O7AA Eu1 O 147.8(3) . . ?
O7AA Eu1 O6AA 77.9(3) . . ?
O7AA Eu1 N 136.3(4) . . ?
O7AA Eu1 N0AA 63.0(4) . . ?
O7AA Eu1 N1AA 72.0(4) . . ?
N Eu1 N0AA 117.6(4) . . ?
N Eu1 N1AA 124.8(4) . . ?
N1AA Eu1 N0AA 117.6(4) . . ?
O1AA Mn2 O4AA 165.6(4) . 1_655 ?
O8AA Mn2 O1AA 102.0(4) 4_665 . ?
O8AA Mn2 O4AA 91.3(4) 4_665 1_655 ?
O8AA Mn2 O0BA 171.5(5) 4_665 . ?
O8AA Mn2 O1BA 89.6(5) 4_665 . ?
O8AA Mn2 O3BA 96.6(5) 4_665 . ?
O0BA Mn2 O1AA 84.9(4) . . ?
O0BA Mn2 O4AA 82.2(4) . 1_655 ?
O1BA Mn2 O1AA 94.2(5) . . ?
O1BA Mn2 O4AA 91.2(5) . 1_655 ?
O1BA Mn2 O0BA 85.1(5) . . ?
O3BA Mn2 O1AA 83.4(4) . . ?
O3BA Mn2 O4AA 89.8(4) . 1_655 ?
O3BA Mn2 O0BA 88.9(5) . . ?
O3BA Mn2 O1BA 173.7(5) . . ?
O2BA Mn3 O9AA 85.3(4) . 1_455 ?
O4BA Mn3 O9AA 82.2(5) . 1_455 ?
O4BA Mn3 O2BA 93.6(5) . . ?
O4BA Mn3 O6BA 178.0(6) . . ?
O4BA Mn3 O8BA 88.4(5) . . ?
O6BA Mn3 O9AA 96.1(6) . 1_455 ?
O6BA Mn3 O2BA 87.2(6) . . ?
O6BA Mn3 O8BA 93.5(5) . . ?
O7BA Mn3 O9AA 95.1(5) . 1_455 ?
O7BA Mn3 O2BA 176.0(6) . . ?
O7BA Mn3 O4BA 90.4(6) . . ?
O7BA Mn3 O6BA 88.8(7) . . ?
O7BA Mn3 O8BA 96.8(5) . . ?
O8BA Mn3 O9AA 164.9(4) . 1_455 ?
O8BA Mn3 O2BA 83.5(4) . . ?
C3EA O Eu1 123.9(10) . . ?
C1DA O0AA Eu1 125.9(9) . . ?
C3CA O1AA Mn2 129.8(9) . . ?
C8DA O3AA Eu1 128.1(10) . . ?
C8DA O4AA Mn2 123.3(10) . 1_455 ?
C3DA O5AA Eu1 123.6(10) . . ?
C4EA O6AA Eu1 124.3(10) . . ?
C3CA O7AA Eu1 125.0(9) . . ?
C7DA O8AA Mn2 128.1(10) . 4_566 ?
C4EA O9AA Mn3 131.1(11) . 1_655 ?
N C2BA C6DA 123.2(15) . . ?
N C2BA C4EA 114.6(14) . . ?
C6DA C2BA C4EA 122.2(14) . . ?
C2BA N Eu1 121.9(10) . . ?
C9CA N Eu1 118.9(9) . . ?
C9CA N C2BA 119.2(13) . . ?
C2CA N0AA Eu1 121.6(9) . . ?
C2CA N0AA C2DA 116.5(13) . . ?
C2DA N0AA Eu1 120.2(9) . . ?
C5CA N1AA Eu1 119.0(11) . . ?
C1EA N1AA Eu1 122.8(10) . . ?
C1EA N1AA C5CA 118.1(14) . . ?
N0AA C2CA C3CA 113.0(13) . . ?
N0AA C2CA C8CA 122.9(14) . . ?
C8CA C2CA C3CA 124.2(14) . . ?
O1AA C3CA O7AA 121.7(13) . . ?
O1AA C3CA C2CA 121.1(14) . . ?
O7AA C3CA C2CA 116.7(13) . . ?
C2DA C4CA C0DA 114.7(15) . . ?
N1AA C5CA C3DA 114.5(15) . . ?
N1AA C5CA C5DA 121.1(15) . . ?
C5DA C5CA C3DA 124.3(14) . . ?
O2AA C6CA C5DA 124.4(14) . . ?
O2AA C6CA C2EA 117.9(15) . . ?
C2EA C6CA C5DA 117.6(15) . . ?
C9CA C7CA C7DA 120.2(16) . . ?
C0DA C8CA C2CA 119.3(14) . . ?
N C9CA C7CA 122.9(14) . . ?
N C9CA C3EA 117.4(14) . . ?
C7CA C9CA C3EA 119.7(15) . . ?
C8CA C0DA C4CA 120.2(14) . . ?
O0CA C0DA C4CA 121.3(14) . . ?
O0CA C0DA C8CA 118.6(14) . . ?
O0AA C1DA C2DA 114.9(14) . . ?
O8BA C1DA O0AA 124.3(14) . . ?
O8BA C1DA C2DA 120.8(14) . . ?
N0AA C2DA C4CA 126.3(14) . . ?
N0AA C2DA C1DA 113.4(13) . . ?
C4CA C2DA C1DA 120.2(14) . . ?
O5AA C3DA C5CA 117.9(14) . . ?
O5AA C3DA O5BA 124.3(16) . . ?
O5BA C3DA C5CA 117.7(15) . . ?
C5CA C5DA C6CA 120.9(13) . . ?
C2BA C6DA C7DA 119.5(15) . . ?
O8AA C7DA C7CA 126.8(16) . . ?
O8AA C7DA C6DA 118.1(14) . . ?
C7CA C7DA C6DA 115.0(16) . . ?
O3AA C8DA C1EA 113.8(13) . . ?
O4AA C8DA O3AA 126.4(14) . . ?
O4AA C8DA C1EA 119.8(14) . . ?
N1AA C1EA C8DA 111.9(13) . . ?
N1AA C1EA C2EA 124.0(13) . . ?
C2EA C1EA C8DA 124.0(13) . . ?
C1EA C2EA C6CA 118.2(14) . . ?
O C3EA C9CA 115.7(15) . . ?
O9BA C3EA O 122.0(16) . . ?
O9BA C3EA C9CA 122.4(16) . . ?
O6AA C4EA C2BA 115.7(14) . . ?
O9AA C4EA O6AA 123.2(15) . . ?
O9AA C4EA C2BA 121.1(15) . . ?
C1DA O8BA Mn3 129.9(11) . . ?
O4 C29 C44 123(2) . . ?

_database_code_depnum_ccdc_archive 'CCDC 981840'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_3
_audit_creation_date             2014-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C47 H53 Eu2 Mn4 N6 O44), 8.33(H2 O), C O H4'
_chemical_formula_sum            'C95 H126.65 Eu4 Mn8 N12 O97.33'
_chemical_formula_weight         4041.34
_chemical_melting_point          ?
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'
Mn Mn 0.3368 0.7283 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.9103(3)
_cell_length_b                   24.1109(8)
_cell_length_c                   17.3062(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.343(3)
_cell_angle_gamma                90.00
_cell_volume                     3678.6(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4840
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      28.9029
_cell_measurement_theta_min      2.3741
_exptl_absorpt_coefficient_mu    2.455
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.36.21
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhomboidal
_exptl_crystal_F_000             1991
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_unetI/netI     0.0915
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13280
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.38
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0243691000
_diffrn_orient_matrix_UB_12      -0.0139931000
_diffrn_orient_matrix_UB_13      -0.0356801000
_diffrn_orient_matrix_UB_21      -0.0202641000
_diffrn_orient_matrix_UB_22      -0.0234501000
_diffrn_orient_matrix_UB_23      0.0210503000
_diffrn_orient_matrix_UB_31      -0.0738726000
_diffrn_orient_matrix_UB_32      0.0109931000
_diffrn_orient_matrix_UB_33      -0.0005194000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4908
_reflns_number_total             6491
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.212
_refine_diff_density_min         -1.995
_refine_diff_density_rms         0.178
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         6491
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0556
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0432P)²+17.7693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1182
_refine_ls_wR_factor_ref         0.1291
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

ISOR 0.005 0.01 C
ISOR 0.005 0.01 O3CA O4CA
ISOR 0.005 0.01 C2
ISOR 0.005 0.01 O1
ISOR 0.005 0.01 C6DA
ISOR 0.005 0.01 C3CA
EADP O2BA C5EA
EADP C3CA C5CA C3EA
EADP O6AA C9DA O9AA
;

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Eu1 Eu 0.96137(4) 0.187869(17) 0.93588(2) 0.00750(12) Uani 1 1 d . . . .
Mn2 Mn 0.48047(13) 0.33750(6) 1.00348(7) 0.0152(3) Uani 1 1 d . . D .
Mn3 Mn 1.49782(13) 0.08537(5) 1.08701(7) 0.0117(3) Uani 1 1 d . . D .
O O 1.1704(6) 0.1306(2) 0.9906(3) 0.0130(12) Uani 1 1 d . . . .
O0AA O 0.7411(6) 0.1604(2) 0.8437(3) 0.0137(12) Uani 1 1 d . . . .
O1AA O 1.2946(6) 0.3101(2) 1.0648(3) 0.0175(13) Uani 1 1 d . . . .
O2AA O 1.1121(6) 0.1827(2) 0.8299(3) 0.0158(13) Uani 1 1 d . . . .
O3AA O 1.1644(6) 0.2526(2) 0.9776(3) 0.0133(12) Uani 1 1 d . . . .
O4AA O 0.5968(6) 0.2640(2) 1.0632(3) 0.0152(13) Uani 1 1 d . . . .
H4AA H 0.6225 0.2702 1.1133 0.023 Uiso 1 1 d . . GR .
H4AB H 0.6795 0.2561 1.0435 0.023 Uiso 1 1 d . . GR .
O5AA O 0.7871(6) 0.2617(2) 0.9613(3) 0.0143(13) Uani 1 1 d . . . .
O6AA O 0.7202(5) 0.1243(2) 1.1319(3) 0.0107(7) Uani 1 1 d . . . .
O7AA O 0.6702(6) 0.3429(2) 0.9353(3) 0.0152(13) Uani 1 1 d . . . .
O8AA O 1.4562(6) 0.1631(2) 1.0219(3) 0.0173(13) Uani 1 1 d . . . .
H8AA H 1.4947 0.1914 1.0499 0.026 Uiso 1 1 d . . GR .
H8AB H 1.3586 0.1689 1.0094 0.026 Uiso 1 1 d . . GR .
O9AA O 0.8084(5) 0.1386(2) 1.0187(3) 0.0107(7) Uani 1 1 d . . . .
O0BA O 0.3717(7) 0.2923(3) 0.9015(3) 0.0240(15) Uani 1 1 d . . . .
H0BA H 0.4382 0.2727 0.8820 0.036 Uiso 1 1 d . . GR .
H0BB H 0.3303 0.3152 0.8662 0.036 Uiso 1 1 d . . GR .
O1BA O 1.2904(6) 0.0499(2) 1.0159(3) 0.0117(12) Uani 1 1 d . . . .
O2BA O 1.5657(8) 0.0073(3) 1.1448(4) 0.0381(15) Uani 1 1 d . . D .
H2BA H 1.569(11) -0.0258(9) 1.128(2) 0.057 Uiso 1 1 d . . DR .
O3BA O 1.6031(6) 0.0575(2) 0.9849(3) 0.0130(12) Uani 1 1 d . . . .
H3BA H 1.6395 0.0237 0.9918 0.019 Uiso 1 1 d . . GR .
H3BB H 1.6784 0.0795 0.9776 0.019 Uiso 1 1 d . . GR .
O4BA O 0.8745(6) 0.3947(2) 0.6805(3) 0.0134(12) Uani 1 1 d . . . .
C5BA C 0.8366(8) 0.3097(3) 0.8485(4) 0.0112(17) Uani 1 1 d . . . .
O5BA O 0.9129(6) -0.0788(2) 0.8482(3) 0.0176(13) Uani 1 1 d . . . .
H5BA H 0.8241 -0.0883 0.8465 0.026 Uiso 1 1 calc . . GR .
N N 1.0064(7) 0.2114(3) 1.0787(4) 0.0111(15) Uani 1 1 d . . . .
C8BA C 0.8349(8) 0.0685(3) 0.8450(4) 0.0109(17) Uani 1 1 d . . . .
N0AA N 0.9276(7) 0.2660(3) 0.8405(4) 0.0126(15) Uani 1 1 d . . . .
N1AA N 0.9520(7) 0.0883(3) 0.8937(4) 0.0112(15) Uani 1 1 d . . . .
C1CA C 0.9220(8) 0.1891(3) 1.1286(4) 0.0109(17) Uani 1 1 d . . . .
C2CA C 0.7571(8) 0.3047(3) 0.9203(4) 0.0101(17) Uani 1 1 d . . . .
C3CA C 0.8156(9) 0.0137(3) 0.8263(5) 0.0125(10) Uani 1 1 d . . . U
H3CA H 0.7319 0.0017 0.7920 0.015 Uiso 1 1 calc . . R .
C4CA C 1.0025(9) 0.2666(3) 0.7787(4) 0.0121(18) Uani 1 1 d . . . .
C5CA C 0.9245(9) -0.0238(3) 0.8601(5) 0.0125(10) Uani 1 1 d . . . .
O6BA O 1.1692(6) 0.2114(2) 0.7154(3) 0.0200(14) Uani 1 1 d . . . .
O7BA O 0.6216(7) 0.1002(3) 0.7578(4) 0.0365(18) Uani 1 1 d . . . .
O8BA O 0.5755(8) 0.3903(3) 1.0991(4) 0.0409(19) Uani 1 1 d . . D .
H8BA H 0.6711(14) 0.392(3) 1.116(3) 0.061 Uiso 1 1 d . . DR .
C8CA C 0.9904(8) 0.3086(3) 0.7253(5) 0.0126(17) Uani 1 1 d . . . .
H8CA H 1.0462 0.3071 0.6840 0.015 Uiso 1 1 calc . . R .
C9CA C 0.8155(8) 0.3534(3) 0.7984(5) 0.0122(17) Uani 1 1 d . . . .
H9CA H 0.7508 0.3823 0.8072 0.015 Uiso 1 1 calc . . R .
C0DA C 1.1837(9) 0.0796(3) 0.9804(5) 0.0120(18) Uani 1 1 d . . . .
C1DA C 1.1240(9) 0.2699(3) 1.1815(4) 0.0122(18) Uani 1 1 d . . . .
H1DA H 1.1952 0.2971 1.1982 0.015 Uiso 1 1 calc . . R .
C9DA C 0.8083(8) 0.1469(3) 1.0916(4) 0.0107(7) Uani 1 1 d . . . .
C2DA C 1.1058(8) 0.2508(3) 1.1064(5) 0.0109(17) Uani 1 1 d . . . .
C3DA C 0.9311(8) 0.2057(3) 1.2058(4) 0.0105(17) Uani 1 1 d . . . .
H3DA H 0.8703 0.1893 1.2388 0.013 Uiso 1 1 calc . . R .
C0EA C 1.1956(8) 0.2733(3) 1.0450(4) 0.0099(17) Uani 1 1 d . . . .
C4DA C 1.0325(9) 0.2472(4) 1.2325(4) 0.0138(18) Uani 1 1 d . . . .
C5DA C 1.1033(9) 0.2165(4) 0.7734(5) 0.0140(18) Uani 1 1 d . . . .
C6DA C 1.0588(8) 0.0522(3) 0.9248(5) 0.0119(18) Uani 1 1 d . . . U
C1EA C 0.8937(8) 0.3544(3) 0.7323(4) 0.0095(17) Uani 1 1 d . . . .
C7DA C 0.7215(9) 0.1124(4) 0.8121(5) 0.0159(19) Uani 1 1 d . . . .
O9BA O 0.3753(12) 0.4128(3) 0.9552(5) 0.070(3) Uani 1 1 d . . D .
H9BA H 0.368(15) 0.4435(17) 0.979(2) 0.104 Uiso 1 1 d . . DR .
O0CA O 1.0385(6) 0.2648(2) 1.3065(3) 0.0146(13) Uani 1 1 d . . . .
H0CA H 1.0924 0.2924 1.3132 0.022 Uiso 1 1 calc . . GR .
C3EA C 1.0520(9) -0.0034(3) 0.9072(4) 0.0125(10) Uani 1 1 d . . . .
H3EA H 1.1313 -0.0270 0.9265 0.015 Uiso 1 1 calc . . R .
C5EA C 1.6439(12) 0.0091(4) 1.2293(6) 0.0381(15) Uani 1 1 d . . D .
H5EA H 1.7474 -0.0027 1.2316 0.057 Uiso 1 1 calc . . GR .
H5EB H 1.5923 -0.0152 1.2606 0.057 Uiso 1 1 calc . . GR .
H5EC H 1.6413 0.0463 1.2488 0.057 Uiso 1 1 calc . . GR .
C6EA C 0.4900(16) 0.4114(6) 1.1574(8) 0.077(5) Uani 1 1 d . . D .
H6EA H 0.4172 0.4380 1.1339 0.116 Uiso 1 1 calc . . GR .
H6EB H 0.5577 0.4289 1.1984 0.116 Uiso 1 1 calc . . GR .
H6EC H 0.4382 0.3814 1.1786 0.116 Uiso 1 1 calc . . GR .
O1CA O 0.8488(10) 0.3687(4) 1.1714(5) 0.041(3) Uani 0.75 1 d . . . .
O2CA O 1.6346(11) -0.1081(4) 1.1444(6) 0.045(3) Uani 0.75 1 d . . . .
O3CA O 0.338(3) 0.5115(9) 1.0263(13) 0.046(6) Uani 0.33 1 d . . . U
C C 0.327(3) 0.4216(12) 0.8720(14) 0.072(8) Uani 0.50 1 d . . D U
HA H 0.4022 0.4072 0.8430 0.108 Uiso 0.50 1 calc . . GR .
HB H 0.3133 0.4605 0.8618 0.108 Uiso 0.50 1 calc . . GR .
HC H 0.2323 0.4026 0.8563 0.108 Uiso 0.50 1 calc . . GR .
O4CA O 0.913(5) 0.4316(19) 1.066(3) 0.091(13) Uani 0.25 1 d . . . U
C2 C 1.004(5) 0.415(2) 1.019(3) 0.058(14) Uani 0.25 1 d . . . U
O1 O 1.701(3) -0.0952(13) 1.1936(18) 0.036(7) Uani 0.25 1 d . . . U


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O 2.400(5) . ?
Eu1 O0AA 2.434(5) . ?
Eu1 O2AA 2.429(5) . ?
Eu1 O3AA 2.418(6) . ?
Eu1 O5AA 2.444(5) . ?
Eu1 O9AA 2.427(5) . ?
Eu1 N 2.511(6) . ?
Eu1 N0AA 2.494(7) . ?
Eu1 N1AA 2.507(7) . ?
Mn2 O1AA 2.195(5) 1_455 ?
Mn2 O4AA 2.230(6) . ?
Mn2 O7AA 2.201(5) . ?
Mn2 O0BA 2.178(6) . ?
Mn2 O8BA 2.161(7) . ?
Mn2 O9BA 2.155(8) . ?
Mn3 O6AA 2.228(5) 1_655 ?
Mn3 O8AA 2.190(6) . ?
Mn3 O1BA 2.236(5) . ?
Mn3 O2BA 2.176(7) . ?
Mn3 O3BA 2.221(5) . ?
Mn3 O4BA 2.139(5) 4_666 ?
O C0DA 1.252(9) . ?
O0AA C7DA 1.281(10) . ?
O1AA Mn2 2.195(5) 1_655 ?
O1AA C0EA 1.263(9) . ?
O2AA C5DA 1.266(9) . ?
O3AA C0EA 1.262(9) . ?
O5AA C2CA 1.262(9) . ?
O6AA Mn3 2.228(5) 1_455 ?
O6AA C9DA 1.249(9) . ?
O7AA C2CA 1.255(9) . ?
O9AA C9DA 1.277(9) . ?
O1BA C0DA 1.273(9) . ?
O2BA C5EA 1.527(12) . ?
O4BA Mn3 2.139(5) 4_565 ?
O4BA C1EA 1.315(9) . ?
C5BA N0AA 1.350(10) . ?
C5BA C2CA 1.522(10) . ?
C5BA C9CA 1.360(11) . ?
O5BA C5CA 1.344(10) . ?
N C1CA 1.338(10) . ?
N C2DA 1.339(10) . ?
C8BA N1AA 1.332(10) . ?
C8BA C3CA 1.366(11) . ?
C8BA C7DA 1.516(11) . ?
N0AA C4CA 1.340(10) . ?
N1AA C6DA 1.343(10) . ?
C1CA C9DA 1.512(11) . ?
C1CA C3DA 1.385(10) . ?
C3CA C5CA 1.390(11) . ?
C4CA C8CA 1.364(11) . ?
C4CA C5DA 1.516(11) . ?
C5CA C3EA 1.388(11) . ?
O6BA C5DA 1.241(9) . ?
O7BA C7DA 1.234(10) . ?
O8BA C6EA 1.442(14) . ?
C8CA C1EA 1.418(11) . ?
C9CA C1EA 1.423(10) . ?
C0DA C6DA 1.513(11) . ?
C1DA C2DA 1.366(11) . ?
C1DA C4DA 1.397(11) . ?
C2DA C0EA 1.519(10) . ?
C3DA C4DA 1.382(11) . ?
C4DA O0CA 1.343(9) . ?
C6DA C3EA 1.375(11) . ?
O9BA C 1.46(2) . ?
O2CA O1 1.01(3) . ?
O4CA C2 1.30(6) . ?

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
_geom_angle_publ_flag
O Eu1 O0AA 127.45(18) . . ?
O Eu1 O2AA 77.66(18) . . ?
O Eu1 O3AA 75.47(18) . . ?
O Eu1 O5AA 145.56(18) . . ?
O Eu1 O9AA 87.44(18) . . ?
O Eu1 N 74.77(19) . . ?
O Eu1 N0AA 135.06(19) . . ?
O Eu1 N1AA 63.61(19) . . ?
O0AA Eu1 O5AA 80.99(18) . . ?
O0AA Eu1 N 134.82(19) . . ?
O0AA Eu1 N0AA 76.3(2) . . ?
O0AA Eu1 N1AA 63.84(19) . . ?
O2AA Eu1 O0AA 88.47(18) . . ?
O2AA Eu1 O5AA 127.49(18) . . ?
O2AA Eu1 N 136.71(19) . . ?
O2AA Eu1 N0AA 64.25(19) . . ?
O2AA Eu1 N1AA 74.34(19) . . ?
O3AA Eu1 O0AA 150.25(18) . . ?
O3AA Eu1 O2AA 77.68(18) . . ?
O3AA Eu1 O5AA 86.75(18) . . ?
O3AA Eu1 O9AA 126.81(17) . . ?
O3AA Eu1 N 63.53(19) . . ?
O3AA Eu1 N0AA 73.9(2) . . ?
O3AA Eu1 N1AA 134.16(19) . . ?
O5AA Eu1 N 70.90(19) . . ?
O5AA Eu1 N0AA 63.27(19) . . ?
O5AA Eu1 N1AA 139.02(19) . . ?
O9AA Eu1 O0AA 77.60(17) . . ?
O9AA Eu1 O2AA 147.20(18) . . ?
O9AA Eu1 O5AA 79.89(18) . . ?
O9AA Eu1 N 63.42(19) . . ?
O9AA Eu1 N0AA 137.45(19) . . ?
O9AA Eu1 N1AA 72.86(19) . . ?
N0AA Eu1 N 117.9(2) . . ?
N0AA Eu1 N1AA 122.3(2) . . ?
N1AA Eu1 N 119.8(2) . . ?
O1AA Mn2 O4AA 82.5(2) 1_455 . ?
O1AA Mn2 O7AA 165.7(2) 1_455 . ?
O7AA Mn2 O4AA 87.4(2) . . ?
O0BA Mn2 O1AA 87.9(2) . 1_455 ?
O0BA Mn2 O4AA 95.7(2) . . ?
O0BA Mn2 O7AA 83.2(2) . . ?
O8BA Mn2 O1AA 92.6(2) . 1_455 ?
O8BA Mn2 O4AA 90.5(3) . . ?
O8BA Mn2 O7AA 97.5(2) . . ?
O8BA Mn2 O0BA 173.7(3) . . ?
O9BA Mn2 O1AA 97.2(3) . 1_455 ?
O9BA Mn2 O4AA 174.8(3) . . ?
O9BA Mn2 O7AA 93.9(3) . . ?
O9BA Mn2 O0BA 89.4(3) . . ?
O9BA Mn2 O8BA 84.3(3) . . ?
O6AA Mn3 O1BA 167.19(19) 1_655 . ?
O8AA Mn3 O6AA 84.0(2) . 1_655 ?
O8AA Mn3 O1BA 88.8(2) . . ?
O8AA Mn3 O3BA 84.8(2) . . ?
O2BA Mn3 O6AA 91.7(2) . 1_655 ?
O2BA Mn3 O8AA 172.6(2) . . ?
O2BA Mn3 O1BA 94.3(2) . . ?
O2BA Mn3 O3BA 89.0(2) . . ?
O3BA Mn3 O6AA 87.01(19) . 1_655 ?
O3BA Mn3 O1BA 81.80(19) . . ?
O4BA Mn3 O6AA 99.79(19) 4_666 1_655 ?
O4BA Mn3 O8AA 97.5(2) 4_666 . ?
O4BA Mn3 O1BA 91.61(19) 4_666 . ?
O4BA Mn3 O2BA 89.2(2) 4_666 . ?
O4BA Mn3 O3BA 173.0(2) 4_666 . ?
C0DA O Eu1 126.4(5) . . ?
C7DA O0AA Eu1 124.9(5) . . ?
C0EA O1AA Mn2 128.8(5) . 1_655 ?
C5DA O2AA Eu1 124.8(5) . . ?
C0EA O3AA Eu1 125.9(5) . . ?
C2CA O5AA Eu1 125.8(5) . . ?
C9DA O6AA Mn3 126.0(5) . 1_455 ?
C2CA O7AA Mn2 127.8(5) . . ?
C9DA O9AA Eu1 126.0(5) . . ?
C0DA O1BA Mn3 123.4(5) . . ?
C5EA O2BA Mn3 118.2(6) . . ?
C1EA O4BA Mn3 130.6(5) . 4_565 ?
N0AA C5BA C2CA 112.3(7) . . ?
N0AA C5BA C9CA 124.7(7) . . ?
C9CA C5BA C2CA 123.1(7) . . ?
C1CA N Eu1 121.3(5) . . ?
C1CA N C2DA 117.3(7) . . ?
C2DA N Eu1 121.0(5) . . ?
N1AA C8BA C3CA 123.9(8) . . ?
N1AA C8BA C7DA 113.9(7) . . ?
C3CA C8BA C7DA 122.2(7) . . ?
C5BA N0AA Eu1 122.6(5) . . ?
C4CA N0AA Eu1 120.7(5) . . ?
C4CA N0AA C5BA 116.7(7) . . ?
C8BA N1AA Eu1 121.2(5) . . ?
C8BA N1AA C6DA 117.7(7) . . ?
C6DA N1AA Eu1 120.8(5) . . ?
N C1CA C9DA 113.7(7) . . ?
N C1CA C3DA 123.1(7) . . ?
C3DA C1CA C9DA 123.0(7) . . ?
O5AA C2CA C5BA 116.1(7) . . ?
O7AA C2CA O5AA 125.0(7) . . ?
O7AA C2CA C5BA 119.0(7) . . ?
C8BA C3CA C5CA 118.2(7) . . ?
N0AA C4CA C8CA 123.3(7) . . ?
N0AA C4CA C5DA 114.0(7) . . ?
C8CA C4CA C5DA 122.7(7) . . ?
O5BA C5CA C3CA 122.9(7) . . ?
O5BA C5CA C3EA 118.5(7) . . ?
C3EA C5CA C3CA 118.7(8) . . ?
C6EA O8BA Mn2 123.7(7) . . ?
C4CA C8CA C1EA 120.7(7) . . ?
C5BA C9CA C1EA 119.2(7) . . ?
O C0DA O1BA 124.3(8) . . ?
O C0DA C6DA 116.3(7) . . ?
O1BA C0DA C6DA 119.4(7) . . ?
C2DA C1DA C4DA 118.0(7) . . ?
O6AA C9DA O9AA 125.1(7) . . ?
O6AA C9DA C1CA 119.6(7) . . ?
O9AA C9DA C1CA 115.3(7) . . ?
N C2DA C1DA 124.1(7) . . ?
N C2DA C0EA 113.0(7) . . ?
C1DA C2DA C0EA 122.9(7) . . ?
C4DA C3DA C1CA 118.4(7) . . ?
O1AA C0EA C2DA 118.6(7) . . ?
O3AA C0EA O1AA 125.5(7) . . ?
O3AA C0EA C2DA 115.9(7) . . ?
C3DA C4DA C1DA 119.0(7) . . ?
O0CA C4DA C1DA 122.2(7) . . ?
O0CA C4DA C3DA 118.8(7) . . ?
O2AA C5DA C4CA 115.9(7) . . ?
O6BA C5DA O2AA 125.2(8) . . ?
O6BA C5DA C4CA 118.8(7) . . ?
N1AA C6DA C0DA 112.6(7) . . ?
N1AA C6DA C3EA 122.5(7) . . ?
C3EA C6DA C0DA 124.8(7) . . ?
O4BA C1EA C8CA 122.6(7) . . ?
O4BA C1EA C9CA 122.0(7) . . ?
C8CA C1EA C9CA 115.4(7) . . ?
O0AA C7DA C8BA 115.4(7) . . ?
O7BA C7DA O0AA 125.4(8) . . ?
O7BA C7DA C8BA 119.2(8) . . ?
C O9BA Mn2 123.7(12) . . ?
C6DA C3EA C5CA 118.7(8) . . ?

_database_code_depnum_ccdc_archive 'CCDC 981841'
