#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:20:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179686 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/08/7000833.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7000833
loop_
_publ_author_name
'Zhao, Xiao-Qing'
'Zhao, Bin'
'Shi, Wei'
'Cheng, Peng'
'Liao, Dai-Zheng'
'Yan, Shi-Ping'
_publ_section_title
;
 Self-assembly of novel 3d--4d--4f heterometal--organic framework based
 on double-stranded helical motifs
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2281
_journal_page_last               2283
_journal_paper_doi               10.1039/b821295n
_journal_year                    2009
_chemical_formula_moiety         'C21 H36 Cd Co Eu N3 O29'
_chemical_formula_sum            'C21 H36 Cd Co Eu N3 O29'
_chemical_formula_weight         1117.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.22(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9716(18)
_cell_length_b                   24.550(5)
_cell_length_c                   18.082(5)
_cell_measurement_reflns_used    8656
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9604
_cell_measurement_theta_min      1.6589
_cell_volume                     3737.2(17)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28185
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    2.767
_exptl_absorpt_correction_T_max  0.9467
_exptl_absorpt_correction_T_min  0.8974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2212
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.460
_refine_diff_density_min         -0.955
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         6583
_refine_ls_number_restraints     270
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.161
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0403P)²+23.9989P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                6014
_reflns_number_total             6583
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b821295n.txt
_cod_data_source_block           r70930c
_cod_original_cell_volume        3737.2(15)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7000833
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.03394(3) 0.186589(11) 0.566748(16) 0.01106(10) Uani 1 1 d . . .
Cd1 Cd -0.58156(5) 0.087385(19) 0.41681(3) 0.01454(13) Uani 0.75 1 d P . .
Co2 Co -0.58156(5) 0.087385(19) 0.41681(3) 0.01454(13) Uani 0.25 1 d P . .
Co1 Co 0.48596(7) 0.33407(3) 0.50072(4) 0.02142(17) Uani 0.75 1 d P . .
Cd2 Cd 0.48596(7) 0.33407(3) 0.50072(4) 0.02142(17) Uani 0.25 1 d P . .
C1 C 0.1591(7) 0.2716(2) 0.4553(3) 0.0160(12) Uani 1 1 d . . .
C2 C 0.0085(6) 0.2507(2) 0.3948(3) 0.0135(12) Uani 1 1 d . . .
C3 C -0.0524(6) 0.2709(2) 0.3195(3) 0.0149(12) Uani 1 1 d . . .
H3 H 0.0006 0.2982 0.3028 0.018 Uiso 1 1 calc R . .
C4 C -0.1943(6) 0.2499(2) 0.2686(3) 0.0140(12) Uani 1 1 d . . .
C5 C -0.2688(6) 0.2079(2) 0.2957(3) 0.0137(12) Uani 1 1 d . . .
H5 H -0.3633 0.1926 0.2627 0.016 Uiso 1 1 calc R . .
C6 C -0.1985(6) 0.1898(2) 0.3723(3) 0.0121(11) Uani 1 1 d . . .
C7 C -0.2729(6) 0.1479(2) 0.4085(3) 0.0115(11) Uani 1 1 d . . .
C8 C 0.2101(6) 0.0783(2) 0.5237(3) 0.0140(12) Uani 1 1 d . . .
C9 C 0.1358(6) 0.0521(2) 0.5781(3) 0.0130(12) Uani 1 1 d . . .
C10 C 0.1432(6) -0.0032(2) 0.5952(3) 0.0135(12) Uani 1 1 d . . .
H10 H 0.2044 -0.0265 0.5769 0.016 Uiso 1 1 calc R . .
C11 C 0.0575(6) -0.0230(2) 0.6403(3) 0.0156(12) Uani 1 1 d . . .
C12 C -0.0239(7) 0.0139(2) 0.6720(4) 0.0167(12) Uani 1 1 d . . .
H12 H -0.0789 0.0020 0.7042 0.020 Uiso 1 1 calc R . .
C13 C -0.0195(6) 0.0683(2) 0.6538(3) 0.0145(12) Uani 1 1 d . . .
C14 C -0.1082(7) 0.1110(2) 0.6826(4) 0.0176(13) Uani 1 1 d . . .
C15 C 0.3314(6) 0.2152(2) 0.7330(3) 0.0139(12) Uani 1 1 d . . .
C16 C 0.2286(6) 0.2651(2) 0.7257(3) 0.0137(12) Uani 1 1 d . . .
C17 C 0.2707(7) 0.3077(2) 0.7791(4) 0.0174(13) Uani 1 1 d . . .
H17 H 0.3676 0.3071 0.8204 0.021 Uiso 1 1 calc R . .
C18 C 0.1663(6) 0.3522(2) 0.7708(3) 0.0161(12) Uani 1 1 d . . .
C19 C 0.0248(7) 0.3506(2) 0.7054(4) 0.0186(13) Uani 1 1 d . . .
H19 H -0.0483 0.3789 0.6965 0.022 Uiso 1 1 calc R . .
C20 C -0.0053(6) 0.3067(2) 0.6542(4) 0.0151(12) Uani 1 1 d . . .
C21 C -0.1545(6) 0.3019(2) 0.5834(3) 0.0155(12) Uani 1 1 d . . .
N1 N -0.0619(5) 0.21100(19) 0.4221(3) 0.0127(10) Uani 1 1 d . . .
N2 N 0.0565(5) 0.08781(18) 0.6076(3) 0.0121(10) Uani 1 1 d . . .
N3 N 0.0931(5) 0.26392(19) 0.6632(3) 0.0138(10) Uani 1 1 d . . .
O1 O 0.1969(4) 0.24997(16) 0.5233(2) 0.0171(9) Uani 1 1 d . . .
O2 O 0.2379(5) 0.30769(17) 0.4364(2) 0.0208(9) Uani 1 1 d . . .
O3 O -0.2651(5) 0.26778(17) 0.1943(2) 0.0188(9) Uani 1 1 d . . .
H3A H -0.2125 0.2926 0.1854 0.028 Uiso 1 1 calc R . .
O4 O -0.4012(4) 0.12589(16) 0.3668(2) 0.0165(9) Uani 1 1 d . . .
O5 O -0.2028(4) 0.13845(16) 0.4811(2) 0.0152(8) Uani 1 1 d . . .
O6 O 0.1920(4) 0.12877(15) 0.5150(2) 0.0159(9) Uani 1 1 d . . .
O7 O 0.2838(5) 0.04877(16) 0.4906(2) 0.0180(9) Uani 1 1 d . . .
O8 O 0.0565(5) -0.07692(16) 0.6530(3) 0.0213(10) Uani 1 1 d . . .
H8 H -0.0211 -0.0848 0.6650 0.032 Uiso 1 1 calc R . .
O9 O -0.1769(6) 0.09855(19) 0.7285(3) 0.0378(13) Uani 1 1 d . . .
O10 O -0.1023(4) 0.15941(15) 0.6566(2) 0.0147(8) Uani 1 1 d . . .
O11 O 0.2843(5) 0.18127(16) 0.6764(2) 0.0182(9) Uani 1 1 d . . .
O12 O 0.4552(5) 0.20975(17) 0.7920(2) 0.0195(9) Uani 1 1 d . . .
O13 O 0.1978(5) 0.39301(17) 0.8205(2) 0.0207(9) Uani 1 1 d . . .
O14 O -0.2569(5) 0.33869(17) 0.5703(3) 0.0225(10) Uani 1 1 d . . .
O15 O -0.1652(4) 0.25978(16) 0.5414(2) 0.0164(9) Uani 1 1 d . . .
O16 O 0.4783(5) 0.28957(19) 0.6031(3) 0.0285(11) Uani 1 1 d . . .
H16A H 0.3853 0.2763 0.5909 0.034 Uiso 1 1 d R . .
H16B H 0.5554 0.2681 0.6253 0.034 Uiso 1 1 d R . .
O17 O 0.4384(10) 0.4031(4) 0.5494(5) 0.055(2) Uani 0.75 1 d PU . .
O17' O 0.379(3) 0.3977(11) 0.5601(16) 0.055(2) Uani 0.25 1 d PU . .
O18 O 0.5094(10) 0.3760(4) 0.4013(5) 0.052(2) Uani 0.75 1 d PU . .
O18' O 0.496(3) 0.3913(11) 0.4247(16) 0.052(2) Uani 0.25 1 d PU . .
O19 O 0.5420(5) 0.26049(17) 0.4431(2) 0.0205(9) Uani 1 1 d . . .
H19B H 0.6399 0.2542 0.4668 0.025 Uiso 1 1 d R . .
H19A H 0.5136 0.2717 0.3959 0.025 Uiso 1 1 d R . .
O20 O -0.5482(5) 0.16361(18) 0.4883(3) 0.0274(10) Uani 1 1 d . . .
H20A H -0.5259 0.1939 0.4718 0.033 Uiso 1 1 d R . .
H20B H -0.6329 0.1625 0.4994 0.033 Uiso 1 1 d R . .
O21 O -0.3686(5) 0.05812(17) 0.5195(2) 0.0209(9) Uani 1 1 d . . .
H21B H -0.3077 0.0837 0.5157 0.025 Uiso 1 1 d R . .
H21A H -0.3417 0.0259 0.5116 0.025 Uiso 1 1 d R . .
O22 O -0.5758(6) 0.0098(2) 0.3572(3) 0.0410(13) Uani 1 1 d . . .
H22A H -0.5669 -0.0201 0.3819 0.049 Uiso 1 1 d R . .
H22B H -0.5990 0.0084 0.3077 0.049 Uiso 1 1 d R . .
O23 O 0.5100(9) 0.9058(3) 0.3046(5) 0.078(2) Uani 1 1 d U . .
H23A H 0.4952 0.8943 0.3461 0.094 Uiso 1 1 d R . .
H23B H 0.4338 0.9012 0.2611 0.094 Uiso 1 1 d R . .
O24 O 0.4855(17) 0.5814(6) 0.2885(9) 0.057(3) Uani 0.50 1 d PU . .
O25 O 0.7686(16) -0.0193(5) 0.8187(7) 0.060(3) Uani 0.50 1 d PU . .
O26 O 0.386(2) 0.0272(7) 0.7967(9) 0.076(3) Uani 0.50 1 d PU . .
O27 O 0.7793(19) 0.4380(7) 0.4392(10) 0.086(5) Uani 0.50 1 d PU . .
O28 O 0.036(2) 0.4096(7) 0.3929(10) 0.022(4) Uani 0.25 1 d PU . .
O29 O 0.703(2) 0.3610(8) 0.3381(11) 0.109(6) Uani 0.50 1 d PU . .
O30 O 0.6179(19) 0.0084(6) 0.7875(9) 0.080(3) Uani 0.50 1 d PU . .
O31 O 0.104(4) 0.5207(12) 0.3998(18) 0.059(5) Uani 0.25 1 d PU . .
O32 O 0.314(3) 0.5585(10) 0.3176(14) 0.050(4) Uani 0.25 1 d PU . .
O33 O 0.561(3) 0.5043(10) 0.5363(14) 0.051(6) Uani 0.25 1 d PU . .
O34 O 0.150(3) 0.4054(9) 0.3344(14) 0.048(6) Uani 0.25 1 d PU . .
O35 O 0.353(4) 0.0768(13) 0.7694(18) 0.075(4) Uani 0.25 1 d PU . .
O36 O -0.041(3) 0.4743(11) 0.3667(15) 0.062(5) Uani 0.25 1 d PU . .
O37 O 0.411(3) 0.5764(12) 0.2850(17) 0.055(3) Uani 0.25 1 d PU . .
O38 O 0.236(5) 0.5145(17) 0.334(2) 0.040(6) Uani 0.13 1 d PU . .
O39 O 0.490(8) 0.031(3) 0.812(4) 0.076(3) Uani 0.13 1 d PU . .
O40 O 0.196(5) 0.3884(18) 0.582(3) 0.044(8) Uani 0.13 1 d PU . .
O42 O 0.179(7) 0.551(2) 0.449(3) 0.058(5) Uani 0.13 1 d PU . .
O41 O 0.119(8) 0.537(3) 0.419(4) 0.058(5) Uani 0.13 1 d PU . .
O43 O 0.074(5) 0.4222(19) 0.508(3) 0.046(7) Uani 0.13 1 d PU . .
O44 O -0.014(6) 0.395(2) 0.483(3) 0.050(8) Uani 0.13 1 d PU . .
O45 O 0.557(7) 0.581(2) 0.290(3) 0.056(4) Uani 0.13 1 d PU . .
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6 Eu1 O11 77.52(13) . . ?
O6 Eu1 O10 126.48(13) . . ?
O11 Eu1 O10 88.64(14) . . ?
O6 Eu1 O1 75.67(14) . . ?
O11 Eu1 O1 79.03(13) . . ?
O10 Eu1 O1 151.83(13) . . ?
O6 Eu1 O5 88.19(13) . . ?
O11 Eu1 O5 147.34(13) . . ?
O10 Eu1 O5 76.42(13) . . ?
O1 Eu1 O5 125.93(13) . . ?
O6 Eu1 O15 147.46(13) . . ?
O11 Eu1 O15 126.66(13) . . ?
O10 Eu1 O15 79.93(13) . . ?
O1 Eu1 O15 87.24(13) . . ?
O5 Eu1 O15 79.63(13) . . ?
O6 Eu1 N3 134.74(14) . . ?
O11 Eu1 N3 63.88(14) . . ?
O10 Eu1 N3 77.20(14) . . ?
O1 Eu1 N3 74.63(15) . . ?
O5 Eu1 N3 137.05(14) . . ?
O15 Eu1 N3 62.78(14) . . ?
O6 Eu1 N2 63.22(14) . . ?
O11 Eu1 N2 75.63(14) . . ?
O10 Eu1 N2 63.27(14) . . ?
O1 Eu1 N2 135.22(14) . . ?
O5 Eu1 N2 71.72(14) . . ?
O15 Eu1 N2 137.35(14) . . ?
N3 Eu1 N2 123.25(15) . . ?
O6 Eu1 N1 76.89(14) . . ?
O11 Eu1 N1 138.13(14) . . ?
O10 Eu1 N1 133.22(14) . . ?
O1 Eu1 N1 62.83(14) . . ?
O5 Eu1 N1 63.31(14) . . ?
O15 Eu1 N1 70.66(14) . . ?
N3 Eu1 N1 117.04(15) . . ?
N2 Eu1 N1 119.67(15) . . ?
O13 Cd1 O22 88.21(19) 4_465 . ?
O13 Cd1 O20 100.34(16) 4_465 . ?
O22 Cd1 O20 171.13(18) . . ?
O13 Cd1 O21 173.06(15) 4_465 . ?
O22 Cd1 O21 88.31(18) . . ?
O20 Cd1 O21 83.43(16) . . ?
O13 Cd1 O7 92.32(15) 4_465 1_455 ?
O22 Cd1 O7 91.91(17) . 1_455 ?
O20 Cd1 O7 90.11(15) . 1_455 ?
O21 Cd1 O7 81.80(15) . 1_455 ?
O13 Cd1 O4 99.28(14) 4_465 . ?
O22 Cd1 O4 91.38(17) . . ?
O20 Cd1 O4 84.95(15) . . ?
O21 Cd1 O4 86.81(14) . . ?
O7 Cd1 O4 168.04(14) 1_455 . ?
O18' Co1 O17 77.1(9) . . ?
O18' Co1 O18 16.4(8) . . ?
O17 Co1 O18 93.4(3) . . ?
O18' Co1 O16 165.3(8) . . ?
O17 Co1 O16 88.7(3) . . ?
O18 Co1 O16 176.1(3) . . ?
O18' Co1 O14 94.0(8) . 1_655 ?
O17 Co1 O14 92.6(3) . 1_655 ?
O18 Co1 O14 93.8(3) . 1_655 ?
O16 Co1 O14 82.83(16) . 1_655 ?
O18' Co1 O2 96.9(8) . . ?
O17 Co1 O2 98.5(3) . . ?
O18 Co1 O2 94.1(3) . . ?
O16 Co1 O2 88.78(16) . . ?
O14 Co1 O2 165.92(16) 1_655 . ?
O18' Co1 O19 100.2(8) . . ?
O17 Co1 O19 177.2(3) . . ?
O18 Co1 O19 83.9(3) . . ?
O16 Co1 O19 93.99(17) . . ?
O14 Co1 O19 87.02(15) 1_655 . ?
O2 Co1 O19 82.30(15) . . ?
O18' Co1 O17' 88.2(11) . . ?
O17 Co1 O17' 15.6(7) . . ?
O18 Co1 O17' 104.2(7) . . ?
O16 Co1 O17' 78.5(7) . . ?
O14 Co1 O17' 102.8(7) 1_655 . ?
O2 Co1 O17' 86.5(7) . . ?
O19 Co1 O17' 166.7(7) . . ?
O2 C1 O1 124.9(5) . . ?
O2 C1 C2 119.4(5) . . ?
O1 C1 C2 115.7(5) . . ?
N1 C2 C3 123.3(5) . . ?
N1 C2 C1 113.4(5) . . ?
C3 C2 C1 123.2(5) . . ?
C2 C3 C4 118.9(5) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
O3 C4 C3 123.4(5) . . ?
O3 C4 C5 118.0(5) . . ?
C3 C4 C5 118.7(5) . . ?
C6 C5 C4 118.5(5) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
N1 C6 C5 122.7(5) . . ?
N1 C6 C7 114.4(5) . . ?
C5 C6 C7 122.8(5) . . ?
O4 C7 O5 124.6(5) . . ?
O4 C7 C6 119.1(5) . . ?
O5 C7 C6 116.3(5) . . ?
O6 C8 O7 125.1(5) . . ?
O6 C8 C9 115.9(5) . . ?
O7 C8 C9 119.0(5) . . ?
N2 C9 C10 122.5(5) . . ?
N2 C9 C8 113.1(5) . . ?
C10 C9 C8 124.4(5) . . ?
C11 C10 C9 118.6(5) . . ?
C11 C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
O8 C11 C10 118.8(5) . . ?
O8 C11 C12 122.0(5) . . ?
C10 C11 C12 119.2(5) . . ?
C13 C12 C11 117.7(5) . . ?
C13 C12 H12 121.1 . . ?
C11 C12 H12 121.1 . . ?
N2 C13 C12 123.9(5) . . ?
N2 C13 C14 114.2(5) . . ?
C12 C13 C14 121.8(5) . . ?
O9 C14 O10 124.7(5) . . ?
O9 C14 C13 120.4(5) . . ?
O10 C14 C13 114.9(5) . . ?
O12 C15 O11 124.3(5) . . ?
O12 C15 C16 119.8(5) . . ?
O11 C15 C16 115.9(5) . . ?
N3 C16 C17 123.5(5) . . ?
N3 C16 C15 113.9(5) . . ?
C17 C16 C15 122.7(5) . . ?
C16 C17 C18 119.9(5) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
O13 C18 C19 121.1(5) . . ?
O13 C18 C17 122.7(5) . . ?
C19 C18 C17 116.2(5) . . ?
C20 C19 C18 119.7(5) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
N3 C20 C19 123.9(5) . . ?
N3 C20 C21 113.4(5) . . ?
C19 C20 C21 122.7(5) . . ?
O14 C21 O15 125.2(5) . . ?
O14 C21 C20 119.0(5) . . ?
O15 C21 C20 115.8(5) . . ?
C2 N1 C6 117.9(5) . . ?
C2 N1 Eu1 121.1(4) . . ?
C6 N1 Eu1 120.4(4) . . ?
C13 N2 C9 117.9(5) . . ?
C13 N2 Eu1 121.4(4) . . ?
C9 N2 Eu1 120.6(4) . . ?
C16 N3 C20 116.8(5) . . ?
C16 N3 Eu1 120.9(4) . . ?
C20 N3 Eu1 122.3(4) . . ?
C1 O1 Eu1 125.9(3) . . ?
C1 O2 Co1 128.4(4) . . ?
C4 O3 H3A 109.5 . . ?
C7 O4 Cd1 124.0(4) . . ?
C7 O5 Eu1 125.3(3) . . ?
C8 O6 Eu1 126.9(4) . . ?
C8 O7 Co2 120.4(4) . 1_655 ?
C8 O7 Cd1 120.4(4) . 1_655 ?
Co2 O7 Cd1 0.00(3) 1_655 1_655 ?
C11 O8 H8 109.5 . . ?
C14 O10 Eu1 126.1(3) . . ?
C15 O11 Eu1 125.2(3) . . ?
C18 O13 Co2 129.4(4) . 4_666 ?
C18 O13 Cd1 129.4(4) . 4_666 ?
Co2 O13 Cd1 0.00(2) 4_666 4_666 ?
C21 O14 Cd2 128.5(4) . 1_455 ?
C21 O14 Co1 128.5(4) . 1_455 ?
Cd2 O14 Co1 0.00(4) 1_455 1_455 ?
C21 O15 Eu1 125.7(3) . . ?
Co1 O16 H16A 106.8 . . ?
Co1 O16 H16B 117.0 . . ?
H16A O16 H16B 116.7 . . ?
O17' O17 Co1 106(3) . . ?
O17 O17' Co1 58(3) . . ?
O18' O18 Co1 67(3) . . ?
O18 O18' Co1 96(3) . . ?
Co1 O19 H19B 105.8 . . ?
Co1 O19 H19A 99.8 . . ?
H19B O19 H19A 117.9 . . ?
Cd1 O20 H20A 122.0 . . ?
Cd1 O20 H20B 99.1 . . ?
H20A O20 H20B 116.6 . . ?
Cd1 O21 H21B 94.8 . . ?
Cd1 O21 H21A 111.3 . . ?
H21B O21 H21A 116.5 . . ?
Cd1 O22 H22A 120.4 . . ?
Cd1 O22 H22B 121.0 . . ?
H22A O22 H22B 117.7 . . ?
H23A O23 H23B 116.5 . . ?
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 O6 2.413(4) . ?
Eu1 O11 2.432(4) . ?
Eu1 O10 2.440(4) . ?
Eu1 O1 2.444(4) . ?
Eu1 O5 2.456(4) . ?
Eu1 O15 2.463(4) . ?
Eu1 N3 2.507(5) . ?
Eu1 N2 2.522(5) . ?
Eu1 N1 2.526(5) . ?
Cd1 O13 2.191(4) 4_465 ?
Cd1 O22 2.198(5) . ?
Cd1 O20 2.235(5) . ?
Cd1 O21 2.272(4) . ?
Cd1 O7 2.292(4) 1_455 ?
Cd1 O4 2.312(4) . ?
Co1 O18' 1.99(3) . ?
Co1 O17 2.022(9) . ?
Co1 O18 2.144(9) . ?
Co1 O16 2.170(5) . ?
Co1 O14 2.216(4) 1_655 ?
Co1 O2 2.222(4) . ?
Co1 O19 2.228(4) . ?
Co1 O17' 2.29(3) . ?
C1 O2 1.253(7) . ?
C1 O1 1.272(7) . ?
C1 C2 1.504(8) . ?
C2 N1 1.345(7) . ?
C2 C3 1.373(8) . ?
C3 C4 1.386(8) . ?
C3 H3 0.9300 . ?
C4 O3 1.345(7) . ?
C4 C5 1.406(8) . ?
C5 C6 1.383(8) . ?
C5 H5 0.9300 . ?
C6 N1 1.350(7) . ?
C6 C7 1.496(8) . ?
C7 O4 1.259(7) . ?
C7 O5 1.265(7) . ?
C8 O6 1.252(7) . ?
C8 O7 1.263(7) . ?
C8 C9 1.509(8) . ?
C9 N2 1.350(7) . ?
C9 C10 1.390(8) . ?
C10 C11 1.387(8) . ?
C10 H10 0.9300 . ?
C11 O8 1.345(7) . ?
C11 C12 1.404(8) . ?
C12 C13 1.380(8) . ?
C12 H12 0.9300 . ?
C13 N2 1.337(7) . ?
C13 C14 1.512(8) . ?
C14 O9 1.231(7) . ?
C14 O10 1.286(7) . ?
C15 O12 1.253(7) . ?
C15 O11 1.274(7) . ?
C15 C16 1.510(8) . ?
C16 N3 1.344(7) . ?
C16 C17 1.386(8) . ?
C17 C18 1.412(8) . ?
C17 H17 0.9300 . ?
C18 O13 1.310(7) . ?
C18 C19 1.404(8) . ?
C19 C20 1.386(8) . ?
C19 H19 0.9300 . ?
C20 N3 1.345(7) . ?
C20 C21 1.502(8) . ?
C21 O14 1.251(7) . ?
C21 O15 1.267(7) . ?
O3 H3A 0.8200 . ?
O7 Co2 2.292(4) 1_655 ?
O7 Cd1 2.292(4) 1_655 ?
O8 H8 0.8200 . ?
O13 Co2 2.191(4) 4_666 ?
O13 Cd1 2.191(4) 4_666 ?
O14 Cd2 2.216(4) 1_455 ?
O14 Co1 2.216(4) 1_455 ?
O16 H16A 0.8503 . ?
O16 H16B 0.8511 . ?
O17 O17' 0.64(3) . ?
O18 O18' 0.61(3) . ?
O19 H19B 0.8476 . ?
O19 H19A 0.8468 . ?
O20 H20A 0.8504 . ?
O20 H20B 0.8511 . ?
O21 H21B 0.8507 . ?
O21 H21A 0.8529 . ?
O22 H22A 0.8484 . ?
O22 H22B 0.8481 . ?
O23 H23A 0.8547 . ?
O23 H23B 0.8522 . ?
