Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2007

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Lada Puntus'
_publ_contact_author_address     
;
Russian Academy of Sciences
Institute of Radio Engineering & Electronics
Moscow
125009
RUSSIAN FEDERATION
;

_publ_contact_author_email       LADA_PUNTUS@MAIL.RU

_publ_section_title              
;
Luminescence and structural properties of lanthanide
complexes of Schiff bases derived from pyridoxal and amino acids
;
loop_
_publ_author_name
'Lada Puntus'
'Mikhail Yu. Antipin'
'Konstatin Lyssenko'
'Irina Pekareva'
'Konstantin Zhuravlev'

data_comp1
_database_code_depnum_ccdc_archive 'CCDC 644340'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H19 Eu N2 O10, H2 O'
_chemical_formula_sum            'C12 H21 Eu N2 O11'
_chemical_formula_weight         521.27

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.4180(10)
_cell_length_b                   8.4575(5)
_cell_length_c                   26.0158(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.6985(12)
_cell_angle_gamma                90.00
_cell_volume                     3392.1(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1024
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      29.20

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2064
_exptl_absorpt_coefficient_mu    3.761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.478
_exptl_absorpt_correction_T_max  0.621
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  "Bruker APEX II CCD area detector'"
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15841
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.64
_diffrn_reflns_theta_max         29.00
_reflns_number_total             4496
_reflns_number_gt                3965
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Bruker APEX II'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
The refinement of s.o.f. values for C8,C9, C10 and C8', C9' and C10' was
carried out with constraints on APD values of each pair of atoms
(EADP instruction).
The bond lengths for c9-c10 and c9'-c10, c8-n2 and c8'-n2', c9'-n2' and c9-n2,
c11-c9' and c11-c10 and c8-c3 c8'-c3 were refined to be equal for each pair
using the free variables.
The ADP of O5w and O5w' atoms were refined with EADP instructions. Taking
into account that for two positions of O5w (O5w' and O5w) only one set
of hydrogen atoms (H5wa and H5wb) was located and any of available AFIX
instruction is suitable, the O5w-H5wa, O5w-h5wb, O5w'-H5wa and O5w-H5wb
bond lengths were refined using DFIX

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0213P)^2^+14.7069P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4496
_refine_ls_number_parameters     263
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0272
_refine_ls_wR_factor_ref         0.0587
_refine_ls_wR_factor_gt          0.0566
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.201736(10) 0.487145(15) 0.340015(5) 0.00954(5) Uani 1 1 d . . .
O1 O 0.27943(15) 0.5053(3) 0.41397(8) 0.0173(5) Uani 1 1 d . E .
O2 O 0.01644(18) 0.5690(4) 0.54850(13) 0.0388(7) Uani 1 1 d . . .
H2O H -0.0245 0.5513 0.5662 0.047 Uiso 1 1 d R . .
O3 O 0.05214(15) 0.5153(3) 0.31687(9) 0.0192(5) Uani 1 1 d . E .
O4 O -0.08725(16) 0.5733(3) 0.31666(10) 0.0259(6) Uani 1 1 d . E .
O5 O 0.19641(17) 0.7567(3) 0.30935(9) 0.0218(5) Uani 1 1 d . E .
O6 O 0.13106(17) 0.9879(3) 0.30078(10) 0.0245(5) Uani 1 1 d . E .
N1 N 0.29736(18) 0.4265(3) 0.54885(10) 0.0165(6) Uani 1 1 d . . .
O1W O 0.11832(16) 0.3030(3) 0.39337(9) 0.0178(5) Uani 1 1 d . E .
H1WA H 0.1391 0.2353 0.4111 0.021 Uiso 1 1 d R . .
H1WB H 0.1058 0.2611 0.3668 0.021 Uiso 1 1 d R . .
O2W O 0.34182(15) 0.5311(3) 0.30221(9) 0.0184(5) Uani 1 1 d . E .
H2WB H 0.3487 0.5061 0.2729 0.022 Uiso 1 1 d R . .
H2WA H 0.3666 0.6005 0.3172 0.022 Uiso 1 1 d R . .
O3W O 0.17839(15) 0.4030(3) 0.25218(9) 0.0192(5) Uani 1 1 d . E .
H3WB H 0.1475 0.4499 0.2325 0.023 Uiso 1 1 d R . .
H3WA H 0.2096 0.3524 0.2341 0.023 Uiso 1 1 d R . .
O4W O 0.26113(15) 0.2218(3) 0.32869(9) 0.0171(5) Uani 1 1 d . E .
H4WB H 0.2197 0.1660 0.3248 0.020 Uiso 1 1 d R . .
H4WA H 0.3094 0.1911 0.3236 0.020 Uiso 1 1 d R . .
O5W O 0.4960(8) 0.6946(13) 0.3239(3) 0.0314(17) Uani 0.50 1 d PD A 1
O5W' O 0.4865(7) 0.6978(13) 0.3031(3) 0.0314(17) Uani 0.50 1 d PD B 2
H5WB H 0.527(2) 0.634(4) 0.3075(12) 0.038 Uiso 1 1 d D C 2
H5WA H 0.504(3) 0.7852(18) 0.3119(13) 0.038 Uiso 1 1 d D D 2
C1 C 0.3142(2) 0.4334(4) 0.49883(12) 0.0149(6) Uani 1 1 d . E .
C2 C 0.2586(2) 0.5092(3) 0.46233(11) 0.0125(6) Uani 1 1 d . . .
C3 C 0.1856(2) 0.5895(3) 0.48200(11) 0.0126(6) Uani 1 1 d D E .
C4 C 0.1702(2) 0.5841(4) 0.53553(12) 0.0150(6) Uani 1 1 d . . .
C5 C 0.2262(2) 0.5001(4) 0.56640(11) 0.0171(6) Uani 1 1 d . E .
H5A H 0.2142 0.4935 0.6021 0.020 Uiso 1 1 calc R . .
C6 C 0.3953(2) 0.3550(4) 0.48027(13) 0.0214(7) Uani 1 1 d . . .
H6A H 0.4331 0.3302 0.5097 0.032 Uiso 1 1 calc R E .
H6B H 0.4256 0.4264 0.4569 0.032 Uiso 1 1 calc R . .
H6C H 0.3801 0.2572 0.4621 0.032 Uiso 1 1 calc R . .
C7 C 0.0921(2) 0.6594(4) 0.55981(13) 0.0214(7) Uani 1 1 d . E .
H7A H 0.1009 0.6655 0.5975 0.026 Uiso 1 1 calc R . .
H7B H 0.0846 0.7683 0.5465 0.026 Uiso 1 1 calc R . .
N2 N 0.1351(2) 0.6847(4) 0.39932(12) 0.0121(8) Uani 0.802(6) 1 d PD E 1
C8 C 0.1355(3) 0.6945(4) 0.44827(14) 0.0139(9) Uani 0.802(6) 1 d PD E 1
H8A H 0.1014 0.7747 0.4637 0.017 Uiso 0.802(6) 1 calc PR E 1
C9 C 0.0897(2) 0.8109(4) 0.37084(14) 0.0123(8) Uani 0.802(6) 1 d PD E 1
H9A H 0.0862 0.9060 0.3936 0.015 Uiso 0.802(6) 1 calc PR E 1
C10 C -0.0022(3) 0.7617(4) 0.35582(15) 0.0151(8) Uani 0.802(6) 1 d PD E 1
H10A H -0.0272 0.8443 0.3331 0.018 Uiso 0.802(6) 1 calc PR E 1
H10B H -0.0375 0.7585 0.3873 0.018 Uiso 0.802(6) 1 calc PR E 1
C11 C -0.0109(2) 0.6021(4) 0.32852(12) 0.0163(6) Uani 1 1 d D . .
C12 C 0.1410(2) 0.8569(4) 0.32218(13) 0.0200(7) Uani 1 1 d . . .
N2' N 0.1028(8) 0.6343(17) 0.4013(4) 0.0121(8) Uani 0.198(6) 1 d PD E 2
C8' C 0.1141(7) 0.648(2) 0.4498(4) 0.0139(9) Uani 0.198(6) 1 d PD E 2
H8'A H 0.0700 0.7036 0.4674 0.017 Uiso 0.198(6) 1 calc PR E 2
C9' C 0.0280(8) 0.6994(12) 0.3727(3) 0.0123(8) Uani 0.198(6) 1 d PD E 2
H9'A H -0.0193 0.7137 0.3983 0.015 Uiso 0.198(6) 1 calc PR E 2
C10' C 0.0493(11) 0.8637(14) 0.3524(6) 0.0151(8) Uani 0.198(6) 1 d PD E 2
H10E H 0.0537 0.9395 0.3814 0.018 Uiso 0.198(6) 1 calc PR E 2
H10C H 0.0027 0.9001 0.3288 0.018 Uiso 0.198(6) 1 calc PR E 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.00910(8) 0.01076(7) 0.00880(7) 0.00002(5) 0.00087(5) 0.00141(6)
O1 0.0153(12) 0.0246(12) 0.0121(10) -0.0013(9) 0.0010(8) 0.0020(10)
O2 0.0115(14) 0.0481(17) 0.057(2) 0.0152(15) 0.0062(13) 0.0015(12)
O3 0.0118(11) 0.0303(13) 0.0154(10) -0.0015(9) -0.0010(8) 0.0066(10)
O4 0.0109(13) 0.0383(14) 0.0283(14) -0.0051(11) -0.0022(10) 0.0074(11)
O5 0.0348(16) 0.0156(11) 0.0153(11) 0.0031(9) 0.0045(10) 0.0014(10)
O6 0.0250(14) 0.0250(12) 0.0234(12) -0.0001(10) 0.0019(10) 0.0110(11)
N1 0.0163(15) 0.0216(13) 0.0117(12) 0.0010(10) -0.0021(10) 0.0054(11)
O1W 0.0204(13) 0.0198(11) 0.0132(11) 0.0038(8) -0.0026(9) 0.0013(9)
O2W 0.0146(12) 0.0242(11) 0.0166(11) -0.0025(9) 0.0011(9) -0.0045(9)
O3W 0.0164(13) 0.0290(12) 0.0123(11) -0.0064(9) -0.0006(9) 0.0068(10)
O4W 0.0090(12) 0.0168(10) 0.0255(12) -0.0011(9) 0.0028(9) 0.0037(9)
O5W 0.012(3) 0.0266(16) 0.055(6) -0.018(4) -0.008(4) -0.0015(16)
O5W' 0.012(3) 0.0266(16) 0.055(6) -0.018(4) -0.008(4) -0.0015(16)
C1 0.0127(16) 0.0165(14) 0.0154(14) 0.0005(11) -0.0007(12) 0.0003(12)
C2 0.0127(15) 0.0134(13) 0.0113(13) -0.0017(10) -0.0002(11) -0.0030(11)
C3 0.0137(16) 0.0133(13) 0.0107(13) -0.0001(10) -0.0031(11) 0.0002(11)
C4 0.0129(16) 0.0183(14) 0.0138(14) -0.0002(11) -0.0004(12) 0.0002(12)
C5 0.0179(16) 0.0234(16) 0.0099(13) 0.0022(11) 0.0006(11) 0.0011(13)
C6 0.0163(18) 0.0309(17) 0.0170(16) -0.0005(13) 0.0009(13) 0.0072(15)
C7 0.0187(19) 0.0347(19) 0.0108(14) -0.0003(13) 0.0001(12) 0.0085(15)
N2 0.009(2) 0.0151(17) 0.0121(14) 0.0005(12) 0.0000(13) 0.0027(12)
C8 0.016(2) 0.013(2) 0.0128(16) 0.0011(14) 0.0028(15) 0.0030(15)
C9 0.014(2) 0.0128(16) 0.0103(16) -0.0002(12) 0.0012(14) 0.0004(14)
C10 0.012(2) 0.0181(18) 0.0156(18) -0.0012(14) 0.0013(15) 0.0026(15)
C11 0.0143(17) 0.0213(15) 0.0134(14) -0.0041(11) 0.0037(12) -0.0029(12)
C12 0.0228(19) 0.0199(15) 0.0174(16) -0.0034(12) 0.0077(14) -0.0085(14)
N2' 0.009(2) 0.0151(17) 0.0121(14) 0.0005(12) 0.0000(13) 0.0027(12)
C8' 0.016(2) 0.013(2) 0.0128(16) 0.0011(14) 0.0028(15) 0.0030(15)
C9' 0.014(2) 0.0128(16) 0.0103(16) -0.0002(12) 0.0012(14) 0.0004(14)
C10' 0.012(2) 0.0181(18) 0.0156(18) -0.0012(14) 0.0013(15) 0.0026(15)

_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 O1 2.259(2) . ?
Eu1 O3 2.389(2) . ?
Eu1 O2W 2.413(2) . ?
Eu1 O3W 2.416(2) . ?
Eu1 O5 2.416(2) . ?
Eu1 O4W 2.443(2) . ?
Eu1 O1W 2.459(2) . ?
Eu1 N2 2.504(3) . ?
Eu1 N2' 2.545(13) . ?
Eu1 H1WB 2.5202 . ?
Eu1 H2WA 2.7879 . ?
Eu1 H4WB 2.7594 . ?
O1 C2 1.302(3) . ?
O2 C7 1.422(5) . ?
O2 H2O 0.8000 . ?
O3 C11 1.258(4) . ?
O4 C11 1.237(4) . ?
O5 C12 1.252(4) . ?
O6 C12 1.248(4) . ?
N1 C1 1.331(4) . ?
N1 C5 1.346(4) . ?
O1W H1WA 0.7995 . ?
O1W H1WB 0.7988 . ?
O2W H2WB 0.7999 . ?
O2W H2WA 0.7994 . ?
O3W H3WB 0.7994 . ?
O3W H3WA 0.8007 . ?
O4W H4WB 0.8003 . ?
O4W H4WA 0.8001 . ?
O5W H5WB 0.823 . ?
O5W H5WA 0.836 . ?
O5W' H5WB 0.832 . ?
O5W' H5WA 0.819 . ?
C1 C2 1.424(4) . ?
C1 C6 1.501(4) . ?
C2 C3 1.416(4) . ?
C3 C4 1.416(4) . ?
C3 C8 1.462(4) . ?
C3 C8' 1.462(5) . ?
C4 C5 1.371(4) . ?
C4 C7 1.507(4) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
N2 C8 1.276(4) . ?
N2 C9 1.471(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.524(5) . ?
C9 C12 1.550(5) . ?
C9 H9A 1.0000 . ?
C10 C11 1.530(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C9' 1.531(5) . ?
C12 C10' 1.626(16) . ?
N2' C8' 1.276(4) . ?
N2' C9' 1.472(5) . ?
C8' H8'A 0.9500 . ?
C9' C10' 1.524(5) . ?
C9' H9'A 1.0000 . ?
C10' H10E 0.9900 . ?
C10' H10C 0.9900 . ?

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
O1 Eu1 O3 135.09(8) . . ?
O1 Eu1 O2W 82.45(8) . . ?
O3 Eu1 O2W 138.44(8) . . ?
O1 Eu1 O3W 153.74(8) . . ?
O3 Eu1 O3W 70.05(8) . . ?
O2W Eu1 O3W 77.51(8) . . ?
O1 Eu1 O5 103.44(8) . . ?
O3 Eu1 O5 78.10(9) . . ?
O2W Eu1 O5 75.34(8) . . ?
O3W Eu1 O5 87.81(8) . . ?
O1 Eu1 O4W 88.26(8) . . ?
O3 Eu1 O4W 115.06(8) . . ?
O2W Eu1 O4W 75.75(8) . . ?
O3W Eu1 O4W 70.55(8) . . ?
O5 Eu1 O4W 146.95(8) . . ?
O1 Eu1 O1W 80.68(8) . . ?
O3 Eu1 O1W 72.27(8) . . ?
O2W Eu1 O1W 143.56(8) . . ?
O3W Eu1 O1W 105.92(8) . . ?
O5 Eu1 O1W 140.15(8) . . ?
O4W Eu1 O1W 71.69(8) . . ?
O1 Eu1 N2 69.33(9) . . ?
O3 Eu1 N2 71.73(10) . . ?
O2W Eu1 N2 121.62(10) . . ?
O3W Eu1 N2 136.22(9) . . ?
O5 Eu1 N2 63.97(9) . . ?
O4W Eu1 N2 147.65(9) . . ?
O1W Eu1 N2 81.58(10) . . ?
O1 Eu1 N2' 75.5(2) . . ?
O3 Eu1 N2' 61.6(3) . . ?
O2W Eu1 N2' 136.6(4) . . ?
O3W Eu1 N2' 130.8(2) . . ?
O5 Eu1 N2' 74.2(3) . . ?
O4W Eu1 N2' 138.9(3) . . ?
O1W Eu1 N2' 68.6(3) . . ?
N2 Eu1 N2' 15.0(3) . . ?
O1 Eu1 H1WB 97.1 . . ?
O3 Eu1 H1WB 65.0 . . ?
O2W Eu1 H1WB 139.5 . . ?
O3W Eu1 H1WB 87.5 . . ?
O5 Eu1 H1WB 142.1 . . ?
O4W Eu1 H1WB 63.8 . . ?
O1W Eu1 H1WB 18.4 . . ?
N2 Eu1 H1WB 95.1 . . ?
N2' Eu1 H1WB 80.8 . . ?
O1 Eu1 H2WA 71.5 . . ?
O3 Eu1 H2WA 142.4 . . ?
O2W Eu1 H2WA 15.6 . . ?
O3W Eu1 H2WA 91.5 . . ?
O5 Eu1 H2WA 68.4 . . ?
O4W Eu1 H2WA 86.9 . . ?
O1W Eu1 H2WA 145.3 . . ?
N2 Eu1 H2WA 106.5 . . ?
N2' Eu1 H2WA 121.4 . . ?
H1WB Eu1 H2WA 149.3 . . ?
O1 Eu1 H4WB 97.8 . . ?
O3 Eu1 H4WB 99.2 . . ?
O2W Eu1 H4WB 90.1 . . ?
O3W Eu1 H4WB 65.7 . . ?
O5 Eu1 H4WB 152.2 . . ?
O4W Eu1 H4WB 16.3 . . ?
O1W Eu1 H4WB 60.8 . . ?
N2 Eu1 H4WB 142.0 . . ?
N2' Eu1 H4WB 129.3 . . ?
H1WB Eu1 H4WB 49.7 . . ?
H2WA Eu1 H4WB 102.4 . . ?
C2 O1 Eu1 133.6(2) . . ?
C7 O2 H2O 129.2 . . ?
C11 O3 Eu1 138.1(2) . . ?
C12 O5 Eu1 124.8(2) . . ?
C1 N1 C5 118.7(3) . . ?
Eu1 O1W H1WA 124.7 . . ?
Eu1 O1W H1WB 85.1 . . ?
H1WA O1W H1WB 105.8 . . ?
Eu1 O2W H2WB 118.6 . . ?
Eu1 O2W H2WA 109.9 . . ?
H2WB O2W H2WA 126.2 . . ?
Eu1 O3W H3WB 122.6 . . ?
Eu1 O3W H3WA 128.9 . . ?
H3WB O3W H3WA 104.3 . . ?
Eu1 O4W H4WB 104.9 . . ?
Eu1 O4W H4WA 132.0 . . ?
H4WB O4W H4WA 122.0 . . ?
H5WB O5W H5WA 107(4) . . ?
H5WB O5W' H5WA 107(4) . . ?
N1 C1 C2 123.3(3) . . ?
N1 C1 C6 117.9(3) . . ?
C2 C1 C6 118.8(3) . . ?
O1 C2 C3 124.6(3) . . ?
O1 C2 C1 118.7(3) . . ?
C3 C2 C1 116.7(3) . . ?
C2 C3 C4 118.9(3) . . ?
C2 C3 C8 119.4(3) . . ?
C4 C3 C8 121.1(3) . . ?
C2 C3 C8' 123.5(6) . . ?
C4 C3 C8' 116.1(6) . . ?
C5 C4 C3 118.7(3) . . ?
C5 C4 C7 118.3(3) . . ?
C3 C4 C7 122.9(3) . . ?
N1 C5 C4 123.5(3) . . ?
N1 C5 H5A 118.3 . . ?
C4 C5 H5A 118.3 . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O2 C7 C4 110.1(3) . . ?
O2 C7 H7A 109.6 . . ?
C4 C7 H7A 109.6 . . ?
O2 C7 H7B 109.6 . . ?
C4 C7 H7B 109.6 . . ?
H7A C7 H7B 108.2 . . ?
C8 N2 C9 116.9(3) . . ?
C8 N2 Eu1 131.4(2) . . ?
C9 N2 Eu1 111.7(2) . . ?
N2 C8 C3 123.8(3) . . ?
N2 C8 H8A 118.1 . . ?
C3 C8 H8A 118.1 . . ?
N2 C9 C10 111.5(3) . . ?
N2 C9 C12 110.5(3) . . ?
C10 C9 C12 109.9(3) . . ?
N2 C9 H9A 108.3 . . ?
C10 C9 H9A 108.3 . . ?
C12 C9 H9A 108.3 . . ?
C9 C10 C11 115.9(3) . . ?
C9 C10 H10A 108.3 . . ?
C11 C10 H10A 108.3 . . ?
C9 C10 H10B 108.3 . . ?
C11 C10 H10B 108.3 . . ?
H10A C10 H10B 107.4 . . ?
O4 C11 O3 124.1(3) . . ?
O4 C11 C10 111.6(3) . . ?
O3 C11 C10 124.2(3) . . ?
O4 C11 C9' 131.0(6) . . ?
O3 C11 C9' 101.4(6) . . ?
O6 C12 O5 124.2(3) . . ?
O6 C12 C9 121.8(3) . . ?
O5 C12 C9 113.8(3) . . ?
O6 C12 C10' 94.7(5) . . ?
O5 C12 C10' 138.8(5) . . ?
C8' N2' C9' 124.2(7) . . ?
C8' N2' Eu1 126.0(8) . . ?
C9' N2' Eu1 109.8(7) . . ?
N2' C8' C3 129.0(10) . . ?
N2' C8' H8'A 115.5 . . ?
C3 C8' H8'A 115.5 . . ?
N2' C9' C10' 110.2(11) . . ?
N2' C9' C11 118.4(9) . . ?
C10' C9' C11 108.3(9) . . ?
N2' C9' H9'A 106.4 . . ?
C10' C9' H9'A 106.4 . . ?
C11 C9' H9'A 106.4 . . ?
C9' C10' C12 109.2(11) . . ?
C9' C10' H10E 109.8 . . ?
C12 C10' H10E 109.8 . . ?
C9' C10' H10C 109.8 . . ?
C12 C10' H10C 109.8 . . ?
H10E C10' H10C 108.3 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        29.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.019
_refine_diff_density_min         -0.997
_refine_diff_density_rms         0.125

_publ_section_references         
;
Bruker, Programs APEX II, version 2.0-1; SAINT, version 7.23A;
SADABS, version 2004/1; XPREP, version 2005/2;
SHELXTL, version 6.1. Bruker AXS Inc., Madison, WI, USA, 2005.

G.M. Sheldrick, Programs SHELXS97 (crystal structure solution)
and SHELXL97 (crystal structure refinement), University of
Gottingen, Germany, 1997.
;

_publ_section_exptl_refinement   
;
The hydrogen atoms of NH group were found in difference
Fourier synthesis. The H(C) atom positions
were calculated. All hydrogen atoms were refined in isotropic approximatiom
in riding model with the Uiso(H) parameters equal to 1.2 Ueq(Ci), for
methyl groups equal to 1.5 Ueq(Cii), where U(Ci) and U(Cii) are
respectively the equivalent thermal parameters of the
carbon atoms to which corresponding H atoms are bonded.
;

# Attachment 'sampl2.cif'

data_a
_database_code_depnum_ccdc_archive 'CCDC 644341'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H34 Eu N8 O10, 4(H2 O), Cl'
_chemical_formula_sum            'C28 H42 Cl Eu N8 O14'
_chemical_formula_weight         902.11

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'
Eu Eu -0.1578 3.6682 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   C222(1)
_chemical_absolute_configuration ad
_symmetry_space_group_name_Hall  'C 2c 2'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   7.2681(19)
_cell_length_b                   20.816(5)
_cell_length_c                   23.403(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3540.7(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    744
_cell_measurement_theta_min      2.62
_cell_measurement_theta_max      19.58

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1832
_exptl_absorpt_coefficient_mu    1.925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8162
_exptl_absorpt_correction_T_max  0.9270
_exptl_absorpt_process_details   'APEX2 (Bruker, 2005)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX2 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15989
_diffrn_reflns_av_R_equivalents  0.1654
_diffrn_reflns_av_sigmaI/netI    0.1467
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.74
_diffrn_reflns_theta_max         27.00
_reflns_number_total             3859
_reflns_number_gt                2833
_reflns_threshold_expression     I>2u(I)

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'APEX2 (Bruker, 2005)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.

We have to emphasize that chlorine atom marked in cif as Cl(1) can be treated
not only as chlorine (s.o.f. 0.5) and oxygen (s.of. 1.00) but even as
potassium (s.o.f. 1.0). The latter is unfavorable from the point of view of
contacts formed by the atom (coordination 3 is too unusual for potassium).
Of course the main reason to treat that atom as chlorine is the overall
charge of the complexe. As it is discussed in the article
N(1) atom of pyridoxal ring is unambiguously protonated.
The discrepancy factor (R1) can serve as an additional independent
justification of this mode. Thus for chlorine the R-factor value is the
lowest one (0.0626) while for oxygen with s.o.f. 1.00 it is slightly higher
0.0634.
The refinement of ADP values was carried out with restraints
(DELU instruction)

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_number_reflns         3859
_refine_ls_number_parameters     236
_refine_ls_number_restraints     68
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0626
_refine_ls_wR_factor_ref         0.1286
_refine_ls_wR_factor_gt          0.1148
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.5000 0.76868(3) 0.7500 0.01355(16) Uani 1 2 d SU . .
Cl1 Cl 0.0924(7) 0.9266(2) 0.50298(19) 0.0214(11) Uani 0.50 1 d P . .
O1W O 0.4075(9) 0.7979(3) 0.6543(3) 0.0215(16) Uani 1 1 d U . .
H1WA H 0.3479 0.8312 0.6444 0.026 Uiso 1 1 d R . .
H1WB H 0.3342 0.7783 0.6320 0.026 Uiso 1 1 d R . .
N1 N 0.2948(13) 0.5144(4) 0.7228(4) 0.0161(13) Uani 1 1 d U . .
H1A H 0.3217 0.4795 0.7049 0.019 Uiso 1 1 calc R . .
O1 O 0.3570(9) 0.6826(3) 0.7057(3) 0.0184(15) Uani 1 1 d U . .
C1 C 0.3414(13) 0.5705(5) 0.6981(4) 0.015(2) Uani 1 1 d U . .
O2 O -0.0052(18) 0.4956(3) 0.8708(2) 0.0274(15) Uani 1 1 d U . .
H2O H 0.0295 0.4566 0.8696 0.033 Uiso 1 1 d R . .
O2W O 0.2326(10) 0.9098(3) 0.6171(3) 0.0272(18) Uani 1 1 d . . .
H2WA H 0.2216 0.9119 0.5810 0.033 Uiso 1 1 d R . .
H2WB H 0.1318 0.9083 0.6355 0.033 Uiso 1 1 d R . .
C2 C 0.3032(16) 0.6292(5) 0.7286(4) 0.015(2) Uani 1 1 d U . .
N2 N 0.2079(10) 0.7381(4) 0.8049(3) 0.0161(13) Uani 1 1 d U . .
O3W O -0.3034(11) 0.9495(4) 0.5366(3) 0.041(2) Uani 1 1 d . . .
H3WA H -0.1908 0.9442 0.5279 0.049 Uiso 1 1 d R . .
H3WB H -0.2999 0.9751 0.5648 0.049 Uiso 1 1 d R . .
O3 O 0.2976(10) 0.8555(3) 0.7700(3) 0.0213(16) Uani 1 1 d U . .
C3 C 0.2052(16) 0.6249(5) 0.7809(4) 0.018(2) Uani 1 1 d U . .
N3 N -0.1645(11) 0.7351(5) 0.9186(3) 0.0238(18) Uani 1 1 d U . .
O4 O 0.0867(10) 0.9044(3) 0.8235(3) 0.0217(16) Uani 1 1 d U . .
C4 C 0.1618(14) 0.5644(5) 0.8036(4) 0.017(2) Uani 1 1 d U . .
N4 N -0.0720(12) 0.6593(5) 0.9789(4) 0.028(2) Uani 1 1 d U . .
H4A H -0.0757 0.6274 1.0021 0.033 Uiso 1 1 calc R . .
C5 C 0.2099(16) 0.5092(5) 0.7730(5) 0.020(3) Uani 1 1 d U . .
H5A H 0.1825 0.4688 0.7877 0.024 Uiso 1 1 calc R . .
C6 C 0.4270(14) 0.5690(5) 0.6394(4) 0.019(2) Uani 1 1 d U . .
H6A H 0.4863 0.5284 0.6335 0.029 Uiso 1 1 calc R . .
H6B H 0.5161 0.6029 0.6363 0.029 Uiso 1 1 calc R . .
H6C H 0.3330 0.5749 0.6111 0.029 Uiso 1 1 calc R . .
C7 C 0.0742(13) 0.5579(4) 0.8621(4) 0.017(2) Uani 1 1 d U . .
H7A H 0.1667 0.5656 0.8912 0.021 Uiso 1 1 calc R . .
H7B H -0.0207 0.5903 0.8664 0.021 Uiso 1 1 calc R . .
C8 C 0.1355(14) 0.6832(5) 0.8072(4) 0.015(2) Uani 1 1 d U . .
H8A H 0.0265 0.6797 0.8278 0.018 Uiso 1 1 calc R . .
C9 C 0.1078(13) 0.7920(4) 0.8311(4) 0.0144(19) Uani 1 1 d U . .
H9A H -0.0233 0.7869 0.8223 0.017 Uiso 1 1 calc R . .
C10 C 0.1307(15) 0.7915(5) 0.8972(4) 0.020(2) Uani 1 1 d U . .
H10A H 0.2603 0.7869 0.9063 0.024 Uiso 1 1 calc R . .
H10B H 0.0899 0.8325 0.9123 0.024 Uiso 1 1 calc R . .
C11 C 0.0276(16) 0.7397(5) 0.9258(3) 0.017(2) Uani 1 1 d U . .
C12 C -0.2141(15) 0.6861(5) 0.9511(4) 0.021(2) Uani 1 1 d U . .
H12A H -0.3348 0.6717 0.9543 0.026 Uiso 1 1 calc R . .
C13 C 0.0828(16) 0.6940(6) 0.9622(5) 0.028(3) Uani 1 1 d U . .
H13A H 0.2030 0.6868 0.9742 0.034 Uiso 1 1 calc R . .
C14 C 0.1714(13) 0.8553(5) 0.8065(4) 0.0129(19) Uani 1 1 d U . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.0166(3) 0.0074(3) 0.0167(3) 0.000 0.0026(6) 0.000
Cl1 0.034(3) 0.015(3) 0.015(2) -0.004(2) -0.011(2) 0.009(2)
O1W 0.028(4) 0.013(4) 0.023(3) 0.004(3) -0.004(3) 0.003(3)
N1 0.023(3) 0.008(3) 0.017(3) 0.000(2) 0.003(2) 0.003(3)
O1 0.021(4) 0.013(3) 0.021(4) -0.004(3) 0.010(3) -0.003(3)
C1 0.021(6) 0.009(4) 0.013(4) -0.003(3) -0.006(4) -0.005(4)
O2 0.038(4) 0.007(3) 0.037(3) 0.002(2) 0.019(6) 0.003(6)
O2W 0.033(5) 0.022(5) 0.027(4) 0.001(3) 0.008(3) -0.005(3)
C2 0.023(6) 0.011(4) 0.012(5) 0.001(3) -0.005(4) -0.001(4)
N2 0.023(3) 0.008(3) 0.017(3) 0.000(2) 0.003(2) 0.003(3)
O3W 0.044(5) 0.040(6) 0.038(5) -0.016(4) 0.022(4) -0.010(4)
O3 0.029(4) 0.009(3) 0.025(4) -0.001(3) 0.004(3) 0.002(3)
C3 0.025(6) 0.007(4) 0.022(5) 0.001(4) 0.011(5) 0.000(5)
N3 0.022(4) 0.019(5) 0.030(5) 0.003(4) 0.007(3) -0.002(4)
O4 0.025(4) 0.012(4) 0.028(4) 0.008(3) 0.011(3) -0.001(3)
C4 0.021(6) 0.016(5) 0.013(5) 0.001(4) 0.000(4) -0.004(4)
N4 0.042(6) 0.026(6) 0.016(5) 0.004(4) 0.003(4) -0.004(4)
C5 0.025(7) 0.010(5) 0.026(5) 0.000(4) 0.005(4) 0.005(5)
C6 0.026(6) 0.008(5) 0.023(5) -0.005(4) 0.000(4) 0.003(4)
C7 0.022(5) 0.009(5) 0.021(5) -0.006(4) 0.001(4) -0.003(4)
C8 0.030(6) 0.009(4) 0.005(4) 0.004(4) -0.001(4) -0.004(4)
C9 0.017(5) 0.010(4) 0.016(4) -0.002(3) 0.001(4) 0.005(4)
C10 0.029(6) 0.006(5) 0.024(5) -0.003(4) 0.005(4) 0.000(4)
C11 0.022(6) 0.012(4) 0.016(4) -0.003(3) 0.002(4) 0.001(5)
C12 0.024(5) 0.015(6) 0.024(6) -0.005(4) 0.010(4) -0.004(4)
C13 0.030(5) 0.027(7) 0.028(7) 0.006(5) -0.004(5) -0.001(5)
C14 0.013(5) 0.010(4) 0.016(5) 0.005(4) -0.005(4) 0.001(4)

_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 O1 2.316(7) 3_656 ?
Eu1 O1 2.316(7) . ?
Eu1 O3 2.377(7) 3_656 ?
Eu1 O3 2.377(7) . ?
Eu1 O1W 2.417(6) 3_656 ?
Eu1 O1W 2.417(6) . ?
Eu1 N2 2.562(8) . ?
Eu1 N2 2.562(8) 3_656 ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8499 . ?
N1 C5 1.331(10) . ?
N1 C1 1.345(13) . ?
N1 H1A 0.8600 . ?
O1 C2 1.296(12) . ?
C1 C2 1.442(14) . ?
C1 C6 1.508(12) . ?
O2 C7 1.435(11) . ?
O2 H2O 0.8500 . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8501 . ?
C2 C3 1.418(12) . ?
N2 C8 1.259(12) . ?
N2 C9 1.470(11) . ?
O3W H3WA 0.8502 . ?
O3W H3WB 0.8496 . ?
O3 C14 1.253(11) . ?
C3 C4 1.404(14) . ?
C3 C8 1.452(14) . ?
N3 C12 1.321(13) . ?
N3 C11 1.410(14) . ?
O4 C14 1.258(12) . ?
C4 C5 1.399(14) . ?
C4 C7 1.516(12) . ?
N4 C12 1.342(14) . ?
N4 C13 1.392(13) . ?
N4 H4A 0.8600 . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9300 . ?
C9 C14 1.510(13) . ?
C9 C10 1.558(12) . ?
C9 H9A 0.9800 . ?
C10 C11 1.473(14) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C13 1.337(14) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?

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
O1 Eu1 O1 78.7(3) 3_656 . ?
O1 Eu1 O3 113.5(2) 3_656 3_656 ?
O1 Eu1 O3 141.0(2) . 3_656 ?
O1 Eu1 O3 141.0(2) 3_656 . ?
O1 Eu1 O3 113.5(2) . . ?
O3 Eu1 O3 81.0(3) 3_656 . ?
O1 Eu1 O1W 69.8(2) 3_656 3_656 ?
O1 Eu1 O1W 137.3(2) . 3_656 ?
O3 Eu1 O1W 79.6(2) 3_656 3_656 ?
O3 Eu1 O1W 78.3(2) . 3_656 ?
O1 Eu1 O1W 137.3(2) 3_656 . ?
O1 Eu1 O1W 69.8(2) . . ?
O3 Eu1 O1W 78.3(2) 3_656 . ?
O3 Eu1 O1W 79.6(2) . . ?
O1W Eu1 O1W 150.9(3) 3_656 . ?
O1 Eu1 N2 87.4(2) 3_656 . ?
O1 Eu1 N2 70.2(2) . . ?
O3 Eu1 N2 143.2(3) 3_656 . ?
O3 Eu1 N2 65.0(3) . . ?
O1W Eu1 N2 80.1(2) 3_656 . ?
O1W Eu1 N2 107.3(2) . . ?
O1 Eu1 N2 70.2(2) 3_656 3_656 ?
O1 Eu1 N2 87.4(2) . 3_656 ?
O3 Eu1 N2 65.0(3) 3_656 3_656 ?
O3 Eu1 N2 143.2(3) . 3_656 ?
O1W Eu1 N2 107.3(2) 3_656 3_656 ?
O1W Eu1 N2 80.1(2) . 3_656 ?
N2 Eu1 N2 151.2(4) . 3_656 ?
Eu1 O1W H1WA 126.8 . . ?
Eu1 O1W H1WB 128.5 . . ?
H1WA O1W H1WB 84.6 . . ?
C5 N1 C1 124.5(10) . . ?
C5 N1 H1A 117.8 . . ?
C1 N1 H1A 117.8 . . ?
C2 O1 Eu1 127.9(6) . . ?
N1 C1 C2 118.3(9) . . ?
N1 C1 C6 118.5(9) . . ?
C2 C1 C6 123.2(9) . . ?
C7 O2 H2O 137.6 . . ?
H2WA O2W H2WB 115.2 . . ?
O1 C2 C3 124.2(10) . . ?
O1 C2 C1 117.7(9) . . ?
C3 C2 C1 118.1(10) . . ?
C8 N2 C9 117.9(8) . . ?
C8 N2 Eu1 126.4(7) . . ?
C9 N2 Eu1 115.4(6) . . ?
H3WA O3W H3WB 103.8 . . ?
C14 O3 Eu1 125.8(6) . . ?
C4 C3 C2 119.7(10) . . ?
C4 C3 C8 120.7(10) . . ?
C2 C3 C8 119.3(10) . . ?
C12 N3 C11 104.7(9) . . ?
C5 C4 C3 119.1(10) . . ?
C5 C4 C7 119.6(9) . . ?
C3 C4 C7 121.1(9) . . ?
C12 N4 C13 105.7(9) . . ?
C12 N4 H4A 127.2 . . ?
C13 N4 H4A 127.2 . . ?
N1 C5 C4 120.1(11) . . ?
N1 C5 H5A 119.9 . . ?
C4 C5 H5A 120.0 . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O2 C7 C4 112.2(7) . . ?
O2 C7 H7A 109.2 . . ?
C4 C7 H7A 109.2 . . ?
O2 C7 H7B 109.1 . . ?
C4 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
N2 C8 C3 126.5(10) . . ?
N2 C8 H8A 116.8 . . ?
C3 C8 H8A 116.8 . . ?
N2 C9 C14 110.8(8) . . ?
N2 C9 C10 110.8(7) . . ?
C14 C9 C10 110.6(8) . . ?
N2 C9 H9A 108.2 . . ?
C14 C9 H9A 108.2 . . ?
C10 C9 H9A 108.2 . . ?
C11 C10 C9 113.7(8) . . ?
C11 C10 H10A 108.8 . . ?
C9 C10 H10A 108.8 . . ?
C11 C10 H10B 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C13 C11 N3 109.0(10) . . ?
C13 C11 C10 131.0(11) . . ?
N3 C11 C10 120.0(9) . . ?
N3 C12 N4 112.9(10) . . ?
N3 C12 H12A 123.5 . . ?
N4 C12 H12A 123.5 . . ?
C11 C13 N4 107.7(10) . . ?
C11 C13 H13A 126.1 . . ?
N4 C13 H13A 126.1 . . ?
O4 C14 O3 124.8(9) . . ?
O4 C14 C9 116.1(9) . . ?
O3 C14 C9 119.1(9) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.158
_refine_diff_density_min         -1.508
_refine_diff_density_rms         0.188

_publ_section_references         
;
Bruker (2005). APEX2 softwarwe package, Bruker AXS Inc., 5465,
East Cheryl Parkway, Madison, WI 5317.

Sheldrick G.M. (1998). SHELXTL v. 5.10, Structure Determination Software
Suite, Bruker AXS, Madison, Wisconsin, USA.
;

_publ_section_exptl_refinement   
;
The hydrogen atoms of NH group were found in difference
Fourier synthesis. The H(C) atom positions
were calculated. All hydrogen atoms were refined in isotropic approximatiom
in riding model with the Uiso(H) parameters equal to 1.2 Ueq(Ci), for
methyl groups equal to 1.5 Ueq(Cii), where U(Ci) and U(Cii) are
respectively the equivalent thermal parameters of the
carbon atoms to which corresponding H atoms are bonded.
;