#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:17:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180498 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/67/7216748.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_7216748
loop_
_publ_author_name
'Liu, Qi'
'Wan, Fang'
'Qiu, Li-Xia'
'Sun, Yan-Qiong'
'Chen, Yi-Ping'
_publ_section_title
;
 Four 2D Ln--Cd heterometal--organic coordination polymers based on
 tetranuclear Ln--Cd oxo-cluster with highly selective luminescent sensing
 of organic molecules and metal cations
;
_journal_issue                   51
_journal_name_full               'RSC Advances'
_journal_page_first              27013
_journal_paper_doi               10.1039/c4ra02953d
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C28 H52 Cd2 Gd2 N6 O24,4(O)'
_chemical_formula_sum            'C28 H52 Cd2 Gd2 N6 O28'
_chemical_formula_weight         1460.06
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.77(3)
_cell_angle_beta                 92.74(3)
_cell_angle_gamma                91.79(3)
_cell_formula_units_Z            2
_cell_length_a                   9.779(2)
_cell_length_b                   10.868(2)
_cell_length_c                   20.395(4)
_cell_measurement_reflns_used    9532
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      54.92
_cell_measurement_theta_min      5.99
_cell_volume                     2125.1(8)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Saturn724 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0713
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            19740
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    4.173
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.282
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1420
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.882
_refine_diff_density_min         -2.644
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     594
_refine_ls_number_reflns         9524
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0721P)²+1.4582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1237
_reflns_number_gt                7188
_reflns_number_total             9524
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra02953d2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2125.2(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7216748
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Gd1 Gd 0.87548(3) 0.20441(2) 0.161924(14) 0.01857(9) Uani 1 1 d .
Gd2 Gd 0.69483(3) -0.19095(2) 0.358096(14) 0.01882(9) Uani 1 1 d .
Cd1 Cd 0.70233(4) 0.23606(4) 0.33624(2) 0.01867(11) Uani 1 1 d .
Cd2 Cd 0.86014(4) -0.22702(4) 0.18168(2) 0.01823(11) Uani 1 1 d .
O1 O 0.3655(5) 0.1037(4) 0.5278(2) 0.0311(11) Uani 1 1 d .
O1W O 0.7230(5) 0.0722(5) 0.0797(2) 0.0381(12) Uani 1 1 d .
H1WA H 0.7346 -0.0044 0.0819 0.057 Uiso 1 1 d R
H1WB H 0.6403 0.0899 0.0875 0.057 Uiso 1 1 d R
O2 O 0.4679(5) 0.2855(4) 0.5717(2) 0.0314(11) Uani 1 1 d .
O2W O 1.0508(4) 0.3724(4) 0.1777(2) 0.0277(10) Uani 1 1 d .
H2WA H 1.0982 0.3655 0.1431 0.042 Uiso 1 1 d R
H2WB H 1.0127 0.4430 0.1837 0.042 Uiso 1 1 d R
O3 O 0.7029(4) 0.4613(4) 0.3473(2) 0.0254(9) Uani 1 1 d .
O3W O 0.4764(5) -0.0968(5) 0.3442(3) 0.0392(12) Uani 1 1 d .
H3WA H 0.4350 -0.1335 0.3072 0.059 Uiso 1 1 d R
H3WB H 0.4259 -0.1051 0.3767 0.059 Uiso 1 1 d R
O4 O 0.6127(5) 0.6093(4) 0.2986(2) 0.0280(10) Uani 1 1 d .
O4W O 0.8232(5) -0.3232(4) 0.4202(2) 0.0302(10) Uani 1 1 d .
H4WA H 0.7977 -0.4036 0.4067 0.045 Uiso 1 1 d R
H4WB H 0.9125 -0.3157 0.4145 0.045 Uiso 1 1 d R
O5 O 0.9024(4) 0.2812(4) 0.2845(2) 0.0242(9) Uani 1 1 d .
O5W O 0.7345(5) -0.0097(5) -0.0553(3) 0.0498(15) Uani 1 1 d .
O6 O 1.0967(5) 0.3979(5) 0.3056(2) 0.0367(12) Uani 1 1 d .
O6W O 1.425(5) -0.297(4) -0.018(2) 0.63(3) Uiso 1 1 d .
O7 O 0.4928(5) 0.1214(6) 0.1388(2) 0.0482(15) Uani 1 1 d .
O7W O 0.2378(6) -0.0444(5) 0.4124(3) 0.0485(14) Uani 1 1 d .
O8 O 0.6613(4) 0.1633(4) 0.2186(2) 0.0209(9) Uani 1 1 d .
O8W O 1.3189(9) 0.3601(10) 0.1172(4) 0.111(3) Uani 1 1 d .
O9 O 0.7582(4) 0.0369(4) 0.3594(2) 0.0261(10) Uani 1 1 d .
O10 O 0.8996(5) -0.0619(4) 0.4175(2) 0.0318(11) Uani 1 1 d .
O11 O 1.0587(5) -0.2970(5) 0.3644(2) 0.0408(13) Uani 1 1 d .
O12 O 0.9024(4) -0.2372(4) 0.2954(2) 0.0237(9) Uani 1 1 d .
O13 O 0.6600(4) -0.1756(4) 0.2377(2) 0.0224(9) Uani 1 1 d .
O14 O 0.4463(5) -0.1259(5) 0.2157(3) 0.0445(14) Uani 1 1 d .
O15 O 0.7314(5) -0.6213(4) 0.1631(2) 0.0276(10) Uani 1 1 d .
O16 O 0.8677(4) -0.4480(4) 0.1758(2) 0.0258(10) Uani 1 1 d .
O17 O 0.9170(4) -0.0126(4) 0.1872(2) 0.0250(9) Uani 1 1 d .
O18 O 1.0870(4) 0.1277(4) 0.2097(2) 0.0295(10) Uani 1 1 d .
O19 O 0.9825(5) -0.1239(4) -0.0700(2) 0.0293(10) Uani 1 1 d .
O20 O 1.0993(5) -0.2843(4) -0.0526(2) 0.0311(11) Uani 1 1 d .
N1 N 0.8891(5) 0.2647(4) 0.4172(2) 0.0199(10) Uani 1 1 d .
N2 N 0.5922(5) 0.2893(4) 0.4428(2) 0.0195(10) Uani 1 1 d .
N3 N 0.4811(5) 0.2934(4) 0.3048(2) 0.0200(10) Uani 1 1 d .
N4 N 1.0971(5) -0.2041(4) 0.2064(2) 0.0197(10) Uani 1 1 d .
N5 N 0.9538(5) -0.2854(4) 0.0711(2) 0.0191(10) Uani 1 1 d .
N6 N 0.6717(5) -0.3225(4) 0.1125(2) 0.0214(11) Uani 1 1 d .
C1 C 0.8665(7) 0.0342(5) 0.3958(3) 0.0228(13) Uani 1 1 d .
C2 C 0.9629(6) 0.1488(5) 0.4113(3) 0.0265(14) Uani 1 1 d .
H2A H 1.0155 0.1485 0.4528 0.032 Uiso 1 1 calc R
H2B H 1.0266 0.1454 0.3760 0.032 Uiso 1 1 calc R
C3 C 0.8380(7) 0.2992(6) 0.4855(3) 0.0280(14) Uani 1 1 d .
H3A H 0.9060 0.3543 0.5137 0.034 Uiso 1 1 calc R
H3B H 0.8274 0.2238 0.5042 0.034 Uiso 1 1 calc R
C4 C 0.7010(7) 0.3643(5) 0.4872(3) 0.0244(13) Uani 1 1 d .
H4A H 0.6716 0.3798 0.5327 0.029 Uiso 1 1 calc R
H4B H 0.7139 0.4447 0.4738 0.029 Uiso 1 1 calc R
C5 C 0.5429(7) 0.1753(5) 0.4662(3) 0.0234(14) Uani 1 1 d .
H5A H 0.6225 0.1304 0.4771 0.028 Uiso 1 1 calc R
H5B H 0.4921 0.1218 0.4290 0.028 Uiso 1 1 calc R
C6 C 0.4537(7) 0.1922(5) 0.5256(3) 0.0264(14) Uani 1 1 d .
C7 C 0.4750(7) 0.3633(6) 0.4275(3) 0.0251(13) Uani 1 1 d .
H7A H 0.5083 0.4465 0.4235 0.030 Uiso 1 1 calc R
H7B H 0.4143 0.3723 0.4642 0.030 Uiso 1 1 calc R
C8 C 0.3954(7) 0.3031(6) 0.3635(3) 0.0274(14) Uani 1 1 d .
H8A H 0.3619 0.2200 0.3674 0.033 Uiso 1 1 calc R
H8B H 0.3168 0.3525 0.3568 0.033 Uiso 1 1 calc R
C9 C 0.4274(6) 0.1928(5) 0.2494(3) 0.0231(13) Uani 1 1 d .
H9A H 0.3471 0.2211 0.2277 0.028 Uiso 1 1 calc R
H9B H 0.3999 0.1198 0.2674 0.028 Uiso 1 1 calc R
C10 C 0.5347(7) 0.1560(6) 0.1977(3) 0.0277(14) Uani 1 1 d .
C11 C 0.4913(7) 0.4148(6) 0.2809(3) 0.0271(14) Uani 1 1 d .
H11A H 0.4078 0.4589 0.2905 0.033 Uiso 1 1 calc R
H11B H 0.4979 0.3973 0.2328 0.033 Uiso 1 1 calc R
C12 C 0.6124(6) 0.4999(5) 0.3120(3) 0.0213(12) Uani 1 1 d .
C13 C 0.9790(6) 0.3644(5) 0.3994(3) 0.0223(12) Uani 1 1 d .
H13A H 1.0687 0.3638 0.4218 0.027 Uiso 1 1 calc R
H13B H 0.9410 0.4453 0.4153 0.027 Uiso 1 1 calc R
C14 C 0.9946(6) 0.3474(5) 0.3235(3) 0.0226(13) Uani 1 1 d .
C15 C 1.0225(6) -0.2719(5) 0.3099(3) 0.0225(13) Uani 1 1 d .
C16 C 1.1272(6) -0.2834(6) 0.2562(3) 0.0258(13) Uani 1 1 d .
H16A H 1.2176 -0.2597 0.2773 0.031 Uiso 1 1 calc R
H16B H 1.1283 -0.3702 0.2336 0.031 Uiso 1 1 calc R
C17 C 1.1301(6) -0.0709(5) 0.2371(3) 0.0247(13) Uani 1 1 d .
H17A H 1.2250 -0.0509 0.2302 0.030 Uiso 1 1 calc R
H17B H 1.1199 -0.0597 0.2849 0.030 Uiso 1 1 calc R
C18 C 1.0400(6) 0.0193(5) 0.2088(3) 0.0192(12) Uani 1 1 d .
C19 C 1.1699(6) -0.2421(6) 0.1436(3) 0.0278(14) Uani 1 1 d .
H19A H 1.2549 -0.2797 0.1542 0.033 Uiso 1 1 calc R
H19B H 1.1932 -0.1677 0.1260 0.033 Uiso 1 1 calc R
C20 C 1.0881(6) -0.3330(6) 0.0907(3) 0.0261(14) Uani 1 1 d .
H20A H 1.1415 -0.3522 0.0515 0.031 Uiso 1 1 calc R
H20B H 1.0719 -0.4103 0.1069 0.031 Uiso 1 1 calc R
C21 C 0.8579(7) -0.3832(6) 0.0339(3) 0.0260(14) Uani 1 1 d .
H21A H 0.8708 -0.4606 0.0501 0.031 Uiso 1 1 calc R
H21B H 0.8774 -0.3980 -0.0131 0.031 Uiso 1 1 calc R
C22 C 0.7096(7) -0.3464(6) 0.0413(3) 0.0259(13) Uani 1 1 d .
H22A H 0.6956 -0.2715 0.0228 0.031 Uiso 1 1 calc R
H22B H 0.6497 -0.4131 0.0159 0.031 Uiso 1 1 calc R
C23 C 0.5634(6) -0.2320(6) 0.1242(3) 0.0260(13) Uani 1 1 d .
H23A H 0.4762 -0.2737 0.1072 0.031 Uiso 1 1 calc R
H23B H 0.5805 -0.1657 0.0994 0.031 Uiso 1 1 calc R
C24 C 0.5533(6) -0.1732(5) 0.1987(3) 0.0227(13) Uani 1 1 d .
C25 C 0.9663(6) -0.1771(5) 0.0374(3) 0.0234(13) Uani 1 1 d .
H25A H 1.0275 -0.1145 0.0652 0.028 Uiso 1 1 calc R
H25B H 0.8769 -0.1411 0.0356 0.028 Uiso 1 1 calc R
C26 C 1.0179(7) -0.2004(6) -0.0334(3) 0.0261(14) Uani 1 1 d .
C27 C 0.7541(6) -0.5070(5) 0.1595(3) 0.0213(13) Uani 1 1 d .
C28 C 0.6344(6) -0.4400(5) 0.1344(3) 0.0245(13) Uani 1 1 d .
H28A H 0.5865 -0.4963 0.0973 0.029 Uiso 1 1 calc R
H28B H 0.5711 -0.4217 0.1699 0.029 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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'
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
O15 Gd1 O1W 91.48(17) 1_565 .
O15 Gd1 O2W 80.84(15) 1_565 .
O1W Gd1 O2W 143.86(16) . .
O15 Gd1 O19 123.80(15) 1_565 2_755
O1W Gd1 O19 74.67(16) . 2_755
O2W Gd1 O19 80.52(15) . 2_755
O15 Gd1 O18 145.84(15) 1_565 .
O1W Gd1 O18 122.66(16) . .
O2W Gd1 O18 71.90(14) . .
O19 Gd1 O18 72.07(16) 2_755 .
O15 Gd1 O5 84.48(15) 1_565 .
O1W Gd1 O5 140.20(14) . .
O2W Gd1 O5 74.54(14) . .
O19 Gd1 O5 138.48(16) 2_755 .
O18 Gd1 O5 68.90(15) . .
O15 Gd1 O8 71.44(13) 1_565 .
O1W Gd1 O8 72.73(14) . .
O2W Gd1 O8 135.17(14) . .
O19 Gd1 O8 144.29(15) 2_755 .
O18 Gd1 O8 114.90(14) . .
O5 Gd1 O8 68.45(14) . .
O15 Gd1 O17 150.27(13) 1_565 .
O1W Gd1 O17 77.81(17) . .
O2W Gd1 O17 123.56(15) . .
O19 Gd1 O17 80.39(14) 2_755 .
O18 Gd1 O17 51.71(14) . .
O5 Gd1 O17 86.37(14) . .
O8 Gd1 O17 78.88(13) . .
O15 Gd1 O20 71.91(14) 1_565 2_755
O1W Gd1 O20 73.93(16) . 2_755
O2W Gd1 O20 70.11(16) . 2_755
O19 Gd1 O20 51.89(14) 2_755 2_755
O18 Gd1 O20 115.51(15) . 2_755
O5 Gd1 O20 139.89(14) . 2_755
O8 Gd1 O20 128.92(15) . 2_755
O17 Gd1 O20 129.17(14) . 2_755
O15 Gd1 C26 97.80(16) 1_565 2_755
O1W Gd1 C26 72.05(17) . 2_755
O2W Gd1 C26 74.10(17) . 2_755
O19 Gd1 C26 26.01(16) 2_755 2_755
O18 Gd1 C26 94.19(17) . 2_755
O5 Gd1 C26 147.74(16) . 2_755
O8 Gd1 C26 142.78(17) . 2_755
O17 Gd1 C26 104.89(16) . 2_755
O20 Gd1 C26 25.89(16) 2_755 2_755
O15 Gd1 C18 160.41(15) 1_565 .
O1W Gd1 C18 100.83(17) . .
O2W Gd1 C18 97.36(16) . .
O19 Gd1 C18 74.61(15) 2_755 .
O18 Gd1 C18 25.48(15) . .
O5 Gd1 C18 76.29(15) . .
O8 Gd1 C18 97.57(15) . .
O17 Gd1 C18 26.23(15) . .
O20 Gd1 C18 126.04(14) 2_755 .
C26 Gd1 C18 100.46(17) 2_755 .
O4 Gd2 O4W 80.66(16) 1_545 .
O4 Gd2 O3W 92.98(17) 1_545 .
O4W Gd2 O3W 145.00(15) . .
O4 Gd2 O1 123.46(14) 1_545 2_656
O4W Gd2 O1 79.58(15) . 2_656
O3W Gd2 O1 75.47(17) . 2_656
O4 Gd2 O12 84.39(15) 1_545 .
O4W Gd2 O12 75.57(14) . .
O3W Gd2 O12 138.43(15) . .
O1 Gd2 O12 138.66(16) 2_656 .
O4 Gd2 O13 72.37(14) 1_545 .
O4W Gd2 O13 135.54(14) . .
O3W Gd2 O13 72.35(15) . .
O1 Gd2 O13 144.88(14) 2_656 .
O12 Gd2 O13 67.33(14) . .
O4 Gd2 O2 70.90(14) 1_545 2_656
O4W Gd2 O2 71.83(16) . 2_656
O3W Gd2 O2 73.56(17) . 2_656
O1 Gd2 O2 52.64(14) 2_656 2_656
O12 Gd2 O2 141.59(14) . 2_656
O13 Gd2 O2 127.55(15) . 2_656
O4 Gd2 O9 149.85(15) 1_545 .
O4W Gd2 O9 124.03(16) . .
O3W Gd2 O9 76.00(16) . .
O1 Gd2 O9 81.42(14) 2_656 .
O12 Gd2 O9 85.76(14) . .
O13 Gd2 O9 77.53(14) . .
O2 Gd2 O9 129.61(14) 2_656 .
O4 Gd2 O10 145.93(15) 1_545 .
O4W Gd2 O10 72.31(15) . .
O3W Gd2 O10 121.04(16) . .
O1 Gd2 O10 71.96(16) 2_656 .
O12 Gd2 O10 69.27(15) . .
O13 Gd2 O10 113.84(14) . .
O2 Gd2 O10 117.66(16) 2_656 .
O9 Gd2 O10 51.76(15) . .
O4 Gd2 C6 96.92(16) 1_545 2_656
O4W Gd2 C6 75.56(17) . 2_656
O3W Gd2 C6 71.09(18) . 2_656
O1 Gd2 C6 26.71(16) 2_656 2_656
O12 Gd2 C6 150.47(17) . 2_656
O13 Gd2 C6 141.19(17) . 2_656
O2 Gd2 C6 26.02(16) 2_656 2_656
O9 Gd2 C6 105.51(15) . 2_656
O10 Gd2 C6 96.01(18) . 2_656
O4 Gd2 C1 159.72(15) 1_545 .
O4W Gd2 C1 98.01(17) . .
O3W Gd2 C1 99.13(18) . .
O1 Gd2 C1 75.65(15) 2_656 .
O12 Gd2 C1 75.74(15) . .
O13 Gd2 C1 95.81(16) . .
O2 Gd2 C1 128.17(15) 2_656 .
O9 Gd2 C1 26.06(16) . .
O10 Gd2 C1 25.71(16) . .
C6 Gd2 C1 102.36(18) 2_656 .
O5 Cd1 N3 124.27(16) . .
O5 Cd1 N1 71.32(16) . .
N3 Cd1 N1 147.99(16) . .
O5 Cd1 O9 98.82(15) . .
N3 Cd1 O9 125.29(16) . .
N1 Cd1 O9 71.62(16) . .
O5 Cd1 O8 72.59(15) . .
N3 Cd1 O8 71.51(15) . .
N1 Cd1 O8 138.66(15) . .
O9 Cd1 O8 94.90(15) . .
O5 Cd1 O3 77.10(14) . .
N3 Cd1 O3 71.35(16) . .
N1 Cd1 O3 87.83(16) . .
O9 Cd1 O3 159.15(16) . .
O8 Cd1 O3 103.13(15) . .
O5 Cd1 N2 141.05(16) . .
N3 Cd1 N2 76.38(17) . .
N1 Cd1 N2 76.39(17) . .
O9 Cd1 N2 90.97(15) . .
O8 Cd1 N2 144.28(16) . .
O3 Cd1 N2 80.53(15) . .
O13 Cd2 N4 137.24(16) . .
O13 Cd2 N6 71.82(15) . .
N4 Cd2 N6 150.13(16) . .
O13 Cd2 O12 71.67(15) . .
N4 Cd2 O12 71.66(15) . .
N6 Cd2 O12 125.92(16) . .
O13 Cd2 O17 90.58(14) . .
N4 Cd2 O17 74.23(16) . .
N6 Cd2 O17 119.82(16) . .
O12 Cd2 O17 98.97(16) . .
O13 Cd2 O16 103.05(14) . .
N4 Cd2 O16 90.74(16) . .
N6 Cd2 O16 72.10(16) . .
O12 Cd2 O16 78.94(15) . .
O17 Cd2 O16 164.59(15) . .
O13 Cd2 N5 144.22(16) . .
N4 Cd2 N5 77.37(17) . .
N6 Cd2 N5 75.93(16) . .
O12 Cd2 N5 142.55(15) . .
O17 Cd2 N5 92.24(15) . .
O16 Cd2 N5 80.95(15) . .
C6 O1 Gd2 93.9(4) . 2_656
C6 O2 Gd2 92.0(4) . 2_656
C12 O3 Cd1 114.5(4) . .
C12 O4 Gd2 133.5(4) . 1_565
C14 O5 Cd1 114.8(3) . .
C14 O5 Gd1 134.3(3) . .
Cd1 O5 Gd1 110.62(17) . .
C10 O8 Cd1 115.0(4) . .
C10 O8 Gd1 131.2(4) . .
Cd1 O8 Gd1 108.30(16) . .
C1 O9 Cd1 116.1(4) . .
C1 O9 Gd2 92.8(3) . .
Cd1 O9 Gd2 150.6(2) . .
C1 O10 Gd2 93.1(4) . .
C15 O12 Cd2 114.5(3) . .
C15 O12 Gd2 134.6(4) . .
Cd2 O12 Gd2 110.80(17) . .
C24 O13 Cd2 114.1(3) . .
C24 O13 Gd2 133.7(4) . .
Cd2 O13 Gd2 110.15(17) . .
C27 O15 Gd1 133.5(4) . 1_545
C27 O16 Cd2 114.4(4) . .
C18 O17 Cd2 113.8(4) . .
C18 O17 Gd1 91.9(3) . .
Cd2 O17 Gd1 153.8(2) . .
C18 O18 Gd1 95.8(4) . .
C26 O19 Gd1 96.2(4) . 2_755
C26 O20 Gd1 90.6(4) . 2_755
C2 N1 C13 109.4(4) . .
C2 N1 C3 110.0(5) . .
C13 N1 C3 112.8(5) . .
C2 N1 Cd1 109.2(4) . .
C13 N1 Cd1 105.2(4) . .
C3 N1 Cd1 110.0(4) . .
C7 N2 C4 113.3(5) . .
C7 N2 C5 110.1(5) . .
C4 N2 C5 114.3(5) . .
C7 N2 Cd1 104.1(3) . .
C4 N2 Cd1 102.9(3) . .
C5 N2 Cd1 111.5(3) . .
C9 N3 C8 111.5(5) . .
C9 N3 C11 109.8(5) . .
C8 N3 C11 111.3(5) . .
C9 N3 Cd1 106.3(3) . .
C8 N3 Cd1 108.4(4) . .
C11 N3 Cd1 109.4(4) . .
C16 N4 C17 109.2(5) . .
C16 N4 C19 112.9(5) . .
C17 N4 C19 111.3(4) . .
C16 N4 Cd2 106.0(3) . .
C17 N4 Cd2 108.0(3) . .
C19 N4 Cd2 109.2(4) . .
C21 N5 C25 111.8(5) . .
C21 N5 C20 113.9(4) . .
C25 N5 C20 113.7(5) . .
C21 N5 Cd2 105.0(3) . .
C25 N5 Cd2 111.7(3) . .
C20 N5 Cd2 99.8(3) . .
C23 N6 C28 111.5(5) . .
C23 N6 C22 111.9(5) . .
C28 N6 C22 111.3(5) . .
C23 N6 Cd2 104.6(4) . .
C28 N6 Cd2 107.5(4) . .
C22 N6 Cd2 109.6(4) . .
O10 C1 O9 122.3(6) . .
O10 C1 C2 118.5(6) . .
O9 C1 C2 119.1(5) . .
O10 C1 Gd2 61.2(3) . .
O9 C1 Gd2 61.2(3) . .
C2 C1 Gd2 175.8(4) . .
N1 C2 C1 111.8(5) . .
N1 C3 C4 113.6(5) . .
N2 C4 C3 112.6(5) . .
N2 C5 C6 117.9(5) . .
O2 C6 O1 121.1(5) . .
O2 C6 C5 122.0(6) . .
O1 C6 C5 116.9(5) . .
O2 C6 Gd2 62.0(3) . 2_656
O1 C6 Gd2 59.3(3) . 2_656
C5 C6 Gd2 171.3(4) . 2_656
N2 C7 C8 112.2(5) . .
N3 C8 C7 111.7(5) . .
N3 C9 C10 111.7(5) . .
O7 C10 O8 124.8(6) . .
O7 C10 C9 117.3(6) . .
O8 C10 C9 117.8(6) . .
N3 C11 C12 114.3(5) . .
O3 C12 O4 124.5(6) . .
O3 C12 C11 120.7(5) . .
O4 C12 C11 114.8(6) . .
N1 C13 C14 112.2(5) . .
O6 C14 O5 125.5(6) . .
O6 C14 C13 116.4(6) . .
O5 C14 C13 118.1(5) . .
O11 C15 O12 124.2(5) . .
O11 C15 C16 117.8(6) . .
O12 C15 C16 118.0(5) . .
N4 C16 C15 112.5(5) . .
N4 C17 C18 113.1(5) . .
O18 C18 O17 120.6(5) . .
O18 C18 C17 118.3(5) . .
O17 C18 C17 121.0(5) . .
O18 C18 Gd1 58.7(3) . .
O17 C18 Gd1 61.9(3) . .
C17 C18 Gd1 176.2(4) . .
N4 C19 C20 113.7(5) . .
N5 C20 C19 113.5(5) . .
N5 C21 C22 111.7(5) . .
N6 C22 C21 112.4(5) . .
N6 C23 C24 113.2(5) . .
O14 C24 O13 125.1(6) . .
O14 C24 C23 117.6(6) . .
O13 C24 C23 117.2(5) . .
N5 C25 C26 117.7(5) . .
O20 C26 O19 121.3(6) . .
O20 C26 C25 122.1(6) . .
O19 C26 C25 116.4(5) . .
O20 C26 Gd1 63.5(3) . 2_755
O19 C26 Gd1 57.8(3) . 2_755
C25 C26 Gd1 171.4(4) . 2_755
O16 C27 O15 124.2(6) . .
O16 C27 C28 119.6(5) . .
O15 C27 C28 116.2(6) . .
N6 C28 C27 114.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O15 2.394(4) 1_565
Gd1 O1W 2.414(5) .
Gd1 O2W 2.431(4) .
Gd1 O19 2.434(4) 2_755
Gd1 O18 2.478(5) .
Gd1 O5 2.482(4) .
Gd1 O8 2.508(4) .
Gd1 O17 2.547(4) .
Gd1 O20 2.560(4) 2_755
Gd1 C26 2.860(6) 2_755
Gd1 C18 2.885(6) .
Gd2 O4 2.375(4) 1_545
Gd2 O4W 2.426(5) .
Gd2 O3W 2.424(5) .
Gd2 O1 2.450(4) 2_656
Gd2 O12 2.466(4) .
Gd2 O13 2.501(4) .
Gd2 O2 2.511(4) 2_656
Gd2 O9 2.529(4) .
Gd2 O10 2.530(5) .
Gd2 C6 2.841(6) 2_656
Gd2 C1 2.884(6) .
Cd1 O5 2.348(4) .
Cd1 N3 2.363(5) .
Cd1 N1 2.375(5) .
Cd1 O9 2.374(4) .
Cd1 O8 2.392(4) .
Cd1 O3 2.416(4) .
Cd1 N2 2.452(5) .
Cd2 O13 2.343(4) .
Cd2 N4 2.344(5) .
Cd2 N6 2.356(5) .
Cd2 O12 2.360(4) .
Cd2 O17 2.360(4) .
Cd2 O16 2.385(4) .
Cd2 N5 2.456(5) .
O1 C6 1.280(8) .
O1 Gd2 2.450(4) 2_656
O2 C6 1.247(7) .
O2 Gd2 2.511(4) 2_656
O3 C12 1.245(8) .
O4 C12 1.269(7) .
O4 Gd2 2.375(4) 1_565
O5 C14 1.280(8) .
O6 C14 1.227(7) .
O7 C10 1.235(8) .
O8 C10 1.284(8) .
O9 C1 1.268(8) .
O10 C1 1.253(7) .
O11 C15 1.233(8) .
O12 C15 1.283(7) .
O13 C24 1.284(8) .
O14 C24 1.217(7) .
O15 C27 1.272(7) .
O15 Gd1 2.394(4) 1_545
O16 C27 1.263(8) .
O17 C18 1.276(7) .
O18 C18 1.248(7) .
O19 C26 1.261(8) .
O19 Gd1 2.434(4) 2_755
O20 C26 1.249(7) .
O20 Gd1 2.560(4) 2_755
N1 C2 1.460(7) .
N1 C13 1.482(7) .
N1 C3 1.489(7) .
N2 C7 1.475(8) .
N2 C4 1.481(8) .
N2 C5 1.483(7) .
N3 C9 1.481(7) .
N3 C8 1.483(7) .
N3 C11 1.491(7) .
N4 C16 1.475(7) .
N4 C17 1.485(7) .
N4 C19 1.491(7) .
N5 C21 1.467(8) .
N5 C25 1.475(7) .
N5 C20 1.491(8) .
N6 C23 1.466(7) .
N6 C28 1.472(7) .
N6 C22 1.492(7) .
C1 C2 1.514(8) .
C3 C4 1.533(9) .
C5 C6 1.514(8) .
C6 Gd2 2.841(6) 2_656
C7 C8 1.514(9) .
C9 C10 1.532(8) .
C11 C12 1.517(9) .
C13 C14 1.541(8) .
C15 C16 1.525(8) .
C17 C18 1.512(8) .
C19 C20 1.500(9) .
C21 C22 1.523(9) .
C23 C24 1.543(8) .
C25 C26 1.531(8) .
C26 Gd1 2.860(6) 2_755
C27 C28 1.515(9) .
