# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005


data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Prof Susumu Kitagawa'
_publ_contact_author_address     
;
Department of Synthetic Chemistry and Biological Chemistry
Kyoto University
katsura Campus, Nishikyo-ku
Kyoto
615-8510
JAPAN
;

_publ_contact_author_email       KITAGAWA@SBCHEM.KYOTO-U.AC.JP

_publ_section_title              
;
Porous lanthanide-organic framework with zeolite-like
topology
;
loop_
_publ_author_name
'Susumu Kitagawa'
'Ho-Chol Chang'
'Tapas Maji'
'Golam Mostafa'

data_complex_1
_database_code_depnum_ccdc_archive 'CCDC 261754'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H8 Gd2 N4 O11, H2 O'
_chemical_formula_sum            'C10 H10 Gd2 N4 O12'
_chemical_formula_weight         692.72

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'
Gd Gd -0.1653 3.9035 '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'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a'
_symmetry_Int_Tables_number      88

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+3/4, x+1/4, z+1/4'
'-x+1/2, -y, z+1/2'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-y+5/4, x+3/4, z+3/4'
'-x+1, -y+1/2, z+1'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'y-3/4, -x-1/4, -z-1/4'
'x-1/2, y, -z-1/2'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'y-1/4, -x+1/4, -z+1/4'
'x, y+1/2, -z'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   20.1321(15)
_cell_length_b                   20.1321(15)
_cell_length_c                   16.1402(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6541.6(8)
_cell_formula_units_Z            16
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    all
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5152
_exptl_absorpt_coefficient_mu    8.118
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.5261
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   REQABA

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       'Omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23671
_diffrn_reflns_av_R_equivalents  0.1363
_diffrn_reflns_av_sigmaI/netI    0.0896
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         27.47
_reflns_number_total             3751
_reflns_number_gt                2806
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Rigaku/MSC Mercury CCD'
_computing_cell_refinement       'Rigaku/MSC Mercury CCD'
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for windows (Farrugia, 1997)'
_computing_publication_material  'Platon99 (Spek, 1999)'

_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.
;

_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^)+(0.0452P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3751
_refine_ls_number_parameters     283
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.1122
_refine_ls_wR_factor_gt          0.1098
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_restrained_S_all      0.945
_refine_ls_shift/su_max          0.001
_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
Gd1 Gd 0.29599(2) 0.32608(2) 0.41125(2) 0.01455(13) Uani 1 1 d D . .
Gd2 Gd 0.20335(2) 0.31815(2) 0.83001(2) 0.01279(13) Uani 1 1 d D . .
N1 N 0.2088(3) 0.3767(3) 0.4922(4) 0.0171(15) Uani 1 1 d . . .
N2 N 0.1263(3) 0.4422(3) 0.5398(4) 0.0168(15) Uani 1 1 d . . .
N3 N 0.2012(3) 0.4412(3) 0.1385(4) 0.0175(16) Uani 1 1 d . . .
N4 N 0.3125(3) 0.4463(3) 0.1233(4) 0.0166(15) Uani 1 1 d . . .
O1 O 0.2857(3) 0.2853(3) 0.5644(3) 0.0186(13) Uani 1 1 d . . .
O2 O 0.2294(3) 0.2842(3) 0.6827(3) 0.0145(12) Uani 1 1 d U . .
O3 O 0.1284(3) 0.3748(3) 0.7438(3) 0.0222(14) Uani 1 1 d . . .
O4 O 0.0805(3) 0.4637(3) 0.6907(3) 0.0199(14) Uani 1 1 d . . .
O5 O 0.2092(3) 0.3359(3) 0.3158(4) 0.0252(15) Uani 1 1 d . . .
O6 O 0.1251(3) 0.3613(3) 0.2325(4) 0.0242(14) Uani 1 1 d . . .
O7 O 0.3491(3) 0.3276(3) 0.2841(3) 0.0194(13) Uani 1 1 d . . .
O8 O 0.4121(3) 0.3773(3) 0.1905(3) 0.0189(13) Uani 1 1 d . . .
O1W O 0.1141(3) 0.2410(3) 0.7965(4) 0.0296(16) Uani 1 1 d D . .
H1W1 H 0.088(2) 0.231(3) 0.8367(18) 0.036 Uiso 1 1 d D . .
H2W1 H 0.090(2) 0.252(3) 0.755(3) 0.036 Uiso 1 1 d D . .
O2W O 0.2229(4) 0.2335(3) 0.4150(4) 0.0314(17) Uani 1 1 d D . .
H1W2 H 0.190(3) 0.231(3) 0.384(4) 0.038 Uiso 1 1 d D . .
H2W2 H 0.216(3) 0.213(3) 0.460(2) 0.038 Uiso 1 1 d D . .
O3W O 0.3767(4) 0.2399(3) 0.4178(4) 0.0310(17) Uani 1 1 d D . .
H1W3 H 0.390(5) 0.219(4) 0.374(3) 0.037 Uiso 1 1 d D . .
H2W3 H 0.385(5) 0.215(3) 0.459(3) 0.037 Uiso 1 1 d D . .
O4W O 0.0754(5) 0.2741(4) 0.3574(5) 0.075(3) Uani 1 1 d D . .
H1W4 H 0.103(2) 0.305(2) 0.342(4) 0.091 Uiso 1 1 d D . .
H2W4 H 0.0588(5) 0.259(3) 0.313(3) 0.091 Uiso 1 1 d D . .
C1 C 0.2388(4) 0.3082(4) 0.6107(5) 0.0146(17) Uani 1 1 d . . .
C2 C 0.1979(4) 0.3604(4) 0.5743(5) 0.0161(18) Uani 1 1 d . . .
C3 C 0.1472(4) 0.4020(4) 0.6031(5) 0.0144(17) Uani 1 1 d . . .
C4 C 0.1178(4) 0.4132(4) 0.6857(5) 0.0156(18) Uani 1 1 d . . .
C5 C 0.1644(5) 0.4235(5) 0.4751(6) 0.021(2) Uani 1 1 d . . .
H5 H 0.166(5) 0.438(5) 0.424(5) 0.025 Uiso 1 1 d . . .
C6 C 0.1870(4) 0.3629(4) 0.2522(5) 0.0192(19) Uani 1 1 d . . .
C7 C 0.2299(4) 0.3989(4) 0.1955(5) 0.0137(17) Uani 1 1 d . . .
C8 C 0.2992(4) 0.4015(4) 0.1861(5) 0.0168(18) Uani 1 1 d . . .
C9 C 0.3547(4) 0.3670(4) 0.2239(5) 0.0159(18) Uani 1 1 d . . .
C10 C 0.2535(5) 0.4678(5) 0.0982(5) 0.0207(19) Uani 1 1 d . . .
H10 H 0.241(4) 0.499(4) 0.054(5) 0.025 Uiso 1 1 d . . .

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
Gd1 0.0189(2) 0.0143(2) 0.0104(2) 0.00070(16) 0.00182(16) -0.00044(16)
Gd2 0.0152(2) 0.0135(2) 0.0096(2) -0.00041(15) 0.00147(16) -0.00007(16)
N1 0.021(4) 0.019(4) 0.010(4) 0.003(3) 0.004(3) 0.004(3)
N2 0.020(4) 0.020(4) 0.010(4) 0.005(3) -0.001(3) 0.005(3)
N3 0.014(4) 0.020(4) 0.018(4) 0.005(3) -0.001(3) 0.001(3)
N4 0.018(4) 0.021(4) 0.011(4) 0.002(3) 0.001(3) -0.002(3)
O1 0.019(3) 0.021(3) 0.015(3) -0.002(3) 0.003(2) 0.002(3)
O2 0.025(3) 0.013(3) 0.005(3) 0.005(2) 0.004(2) 0.004(2)
O3 0.030(4) 0.024(3) 0.013(3) 0.003(3) 0.000(3) 0.010(3)
O4 0.025(3) 0.024(3) 0.011(3) 0.001(3) 0.006(2) 0.012(3)
O5 0.023(4) 0.037(4) 0.016(3) 0.008(3) 0.000(3) -0.008(3)
O6 0.018(3) 0.026(4) 0.028(3) 0.010(3) 0.001(3) 0.001(3)
O7 0.024(3) 0.026(3) 0.009(3) 0.004(3) 0.007(2) 0.005(3)
O8 0.017(3) 0.024(3) 0.016(3) 0.008(3) 0.002(2) 0.003(3)
O1W 0.026(4) 0.037(4) 0.025(4) 0.008(3) -0.006(3) -0.007(3)
O2W 0.050(5) 0.027(4) 0.017(4) 0.007(3) -0.006(3) -0.016(3)
O3W 0.048(5) 0.026(4) 0.019(3) 0.008(3) 0.006(3) 0.012(3)
O4W 0.121(9) 0.034(5) 0.072(6) -0.009(4) 0.065(6) -0.015(5)
C1 0.017(4) 0.015(4) 0.012(4) -0.001(3) -0.001(3) 0.003(3)
C2 0.023(5) 0.015(4) 0.010(4) 0.000(3) -0.002(3) 0.000(4)
C3 0.020(4) 0.015(4) 0.008(4) -0.001(3) -0.002(3) 0.000(3)
C4 0.018(4) 0.020(4) 0.008(4) 0.001(3) 0.000(3) 0.003(3)
C5 0.024(5) 0.026(5) 0.013(4) 0.004(4) -0.004(4) -0.002(4)
C6 0.018(5) 0.023(5) 0.016(5) -0.006(4) 0.000(4) 0.001(4)
C7 0.017(4) 0.018(4) 0.006(4) -0.004(3) -0.001(3) -0.002(3)
C8 0.015(4) 0.020(4) 0.015(4) 0.002(4) 0.002(3) 0.000(3)
C9 0.022(5) 0.014(4) 0.012(4) 0.000(3) 0.000(3) 0.000(3)
C10 0.024(5) 0.024(5) 0.014(4) 0.005(4) -0.005(4) 0.000(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
Gd1 O7 2.314(5) . ?
Gd1 O5 2.337(6) . ?
Gd1 O2W 2.375(6) . ?
Gd1 O3W 2.380(7) . ?
Gd1 O6 2.404(6) 2 ?
Gd1 N1 2.414(7) . ?
Gd1 N3 2.559(7) 2 ?
Gd1 O1 2.614(5) . ?
Gd2 O3 2.348(6) . ?
Gd2 O8 2.384(5) 4_455 ?
Gd2 O1W 2.436(7) . ?
Gd2 O4 2.459(6) 2 ?
Gd2 O2 2.473(5) 13_556 ?
Gd2 N2 2.492(7) 2 ?
Gd2 N4 2.505(7) 4_455 ?
Gd2 O2 2.529(5) . ?
Gd2 O1 2.700(6) 13_556 ?
Gd2 C1 2.957(8) 13_556 ?
N1 C5 1.329(11) . ?
N1 C2 1.382(10) . ?
N2 C5 1.349(11) . ?
N2 C3 1.370(10) . ?
N2 Gd2 2.492(7) 4_454 ?
N3 C10 1.348(11) . ?
N3 C7 1.380(10) . ?
N3 Gd1 2.559(7) 4_454 ?
N4 C10 1.328(11) . ?
N4 C8 1.384(10) . ?
N4 Gd2 2.505(7) 2_554 ?
O1 C1 1.289(9) . ?
O1 Gd2 2.700(6) 13_556 ?
O2 C1 1.273(9) . ?
O2 Gd2 2.473(5) 13_556 ?
O3 C4 1.234(9) . ?
O4 C4 1.267(10) . ?
O4 Gd2 2.459(6) 4_454 ?
O5 C6 1.246(10) . ?
O6 C6 1.287(10) . ?
O6 Gd1 2.404(6) 4_454 ?
O7 C9 1.259(9) . ?
O8 C9 1.292(9) . ?
O8 Gd2 2.384(5) 2_554 ?
O1W H1W1 0.86(4) . ?
O1W H2W1 0.86(5) . ?
O2W H1W2 0.83(6) . ?
O2W H2W2 0.85(4) . ?
O3W H1W3 0.87(6) . ?
O3W H2W3 0.85(6) . ?
O4W H1W4 0.87(2) . ?
O4W H2W4 0.85(5) . ?
C1 C2 1.459(11) . ?
C1 Gd2 2.957(8) 13_556 ?
C2 C3 1.399(11) . ?
C3 C4 1.477(11) . ?
C5 H5 0.87(8) . ?
C6 C7 1.451(12) . ?
C7 C8 1.404(11) . ?
C8 C9 1.451(11) . ?
C10 H10 0.98(9) . ?

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
O7 Gd1 O5 76.1(2) . . ?
O7 Gd1 O2W 108.6(2) . . ?
O5 Gd1 O2W 67.7(2) . . ?
O7 Gd1 O3W 74.6(2) . . ?
O5 Gd1 O3W 127.0(2) . . ?
O2W Gd1 O3W 81.4(3) . . ?
O7 Gd1 O6 93.4(2) . 2 ?
O5 Gd1 O6 149.4(2) . 2 ?
O2W Gd1 O6 142.3(2) . 2 ?
O3W Gd1 O6 75.4(2) . 2 ?
O7 Gd1 N1 144.1(2) . . ?
O5 Gd1 N1 77.1(2) . . ?
O2W Gd1 N1 82.3(2) . . ?
O3W Gd1 N1 141.3(2) . . ?
O6 Gd1 N1 97.6(2) 2 . ?
O7 Gd1 N3 79.2(2) . 2 ?
O5 Gd1 N3 84.1(2) . 2 ?
O2W Gd1 N3 146.9(2) . 2 ?
O3W Gd1 N3 131.0(2) . 2 ?
O6 Gd1 N3 65.5(2) 2 2 ?
N1 Gd1 N3 74.7(2) . 2 ?
O7 Gd1 O1 151.61(19) . . ?
O5 Gd1 O1 126.23(19) . . ?
O2W Gd1 O1 71.38(19) . . ?
O3W Gd1 O1 77.46(19) . . ?
O6 Gd1 O1 74.81(19) 2 . ?
N1 Gd1 O1 64.1(2) . . ?
N3 Gd1 O1 116.9(2) 2 . ?
O3 Gd2 O8 87.1(2) . 4_455 ?
O3 Gd2 O1W 72.8(2) . . ?
O8 Gd2 O1W 78.4(2) 4_455 . ?
O3 Gd2 O4 144.9(2) . 2 ?
O8 Gd2 O4 82.9(2) 4_455 2 ?
O1W Gd2 O4 136.60(19) . 2 ?
O3 Gd2 O2 134.98(19) . 13_556 ?
O8 Gd2 O2 123.51(18) 4_455 13_556 ?
O1W Gd2 O2 81.6(2) . 13_556 ?
O4 Gd2 O2 76.85(19) 2 13_556 ?
O3 Gd2 N2 99.2(2) . 2 ?
O8 Gd2 N2 131.2(2) 4_455 2 ?
O1W Gd2 N2 149.8(2) . 2 ?
O4 Gd2 N2 64.5(2) 2 2 ?
O2 Gd2 N2 84.7(2) 13_556 2 ?
O3 Gd2 N4 70.3(2) . 4_455 ?
O8 Gd2 N4 66.1(2) 4_455 4_455 ?
O1W Gd2 N4 129.2(2) . 4_455 ?
O4 Gd2 N4 74.9(2) 2 4_455 ?
O2 Gd2 N4 148.5(2) 13_556 4_455 ?
N2 Gd2 N4 70.7(2) 2 4_455 ?
O3 Gd2 O2 72.99(18) . . ?
O8 Gd2 O2 151.86(19) 4_455 . ?
O1W Gd2 O2 76.8(2) . . ?
O4 Gd2 O2 124.72(19) 2 . ?
O2 Gd2 O2 65.4(2) 13_556 . ?
N2 Gd2 O2 73.0(2) 2 . ?
N4 Gd2 O2 122.21(19) 4_455 . ?
O3 Gd2 O1 143.2(2) . 13_556 ?
O8 Gd2 O1 73.06(18) 4_455 13_556 ?
O1W Gd2 O1 73.02(19) . 13_556 ?
O4 Gd2 O1 64.14(18) 2 13_556 ?
O2 Gd2 O1 50.59(17) 13_556 13_556 ?
N2 Gd2 O1 117.3(2) 2 13_556 ?
N4 Gd2 O1 124.63(19) 4_455 13_556 ?
O2 Gd2 O1 111.57(16) . 13_556 ?
O3 Gd2 C1 149.6(2) . 13_556 ?
O8 Gd2 C1 98.9(2) 4_455 13_556 ?
O1W Gd2 C1 79.2(2) . 13_556 ?
O4 Gd2 C1 65.4(2) 2 13_556 ?
O2 Gd2 C1 25.15(18) 13_556 13_556 ?
N2 Gd2 C1 99.0(2) 2 13_556 ?
N4 Gd2 C1 139.2(2) 4_455 13_556 ?
O2 Gd2 C1 89.42(19) . 13_556 ?
O1 Gd2 C1 25.84(18) 13_556 13_556 ?
C5 N1 C2 105.1(7) . . ?
C5 N1 Gd1 132.5(6) . . ?
C2 N1 Gd1 122.3(5) . . ?
C5 N2 C3 103.7(7) . . ?
C5 N2 Gd2 134.7(6) . 4_454 ?
C3 N2 Gd2 116.7(5) . 4_454 ?
C10 N3 C7 103.9(7) . . ?
C10 N3 Gd1 142.9(6) . 4_454 ?
C7 N3 Gd1 112.2(5) . 4_454 ?
C10 N4 C8 105.2(7) . . ?
C10 N4 Gd2 139.0(6) . 2_554 ?
C8 N4 Gd2 115.3(5) . 2_554 ?
C1 O1 Gd1 119.6(5) . . ?
C1 O1 Gd2 88.3(4) . 13_556 ?
Gd1 O1 Gd2 146.4(2) . 13_556 ?
C1 O2 Gd2 99.2(5) . 13_556 ?
C1 O2 Gd2 141.8(5) . . ?
Gd2 O2 Gd2 114.6(2) 13_556 . ?
C4 O3 Gd2 150.0(6) . . ?
C4 O4 Gd2 123.9(5) . 4_454 ?
C6 O5 Gd1 148.1(6) . . ?
C6 O6 Gd1 119.8(6) . 4_454 ?
C9 O7 Gd1 137.2(5) . . ?
C9 O8 Gd2 124.3(5) . 2_554 ?
Gd2 O1W H1W1 116(2) . . ?
Gd2 O1W H2W1 116(2) . . ?
H1W1 O1W H2W1 107(3) . . ?
Gd1 O2W H1W2 122(2) . . ?
Gd1 O2W H2W2 120(2) . . ?
H1W2 O2W H2W2 111(3) . . ?
Gd1 O3W H1W3 122(5) . . ?
Gd1 O3W H2W3 127(5) . . ?
H1W3 O3W H2W3 107(7) . . ?
H1W4 O4W H2W4 106(3) . . ?
O2 C1 O1 120.1(7) . . ?
O2 C1 C2 123.9(7) . . ?
O1 C1 C2 116.0(7) . . ?
O2 C1 Gd2 55.7(4) . 13_556 ?
O1 C1 Gd2 65.9(4) . 13_556 ?
C2 C1 Gd2 166.6(6) . 13_556 ?
N1 C2 C3 107.0(7) . . ?
N1 C2 C1 117.9(7) . . ?
C3 C2 C1 135.2(7) . . ?
N2 C3 C2 109.3(7) . . ?
N2 C3 C4 117.4(7) . . ?
C2 C3 C4 133.1(7) . . ?
O3 C4 O4 123.9(7) . . ?
O3 C4 C3 121.4(7) . . ?
O4 C4 C3 114.7(7) . . ?
N1 C5 N2 114.8(8) . . ?
N1 C5 H5 114(6) . . ?
N2 C5 H5 131(6) . . ?
O5 C6 O6 122.7(8) . . ?
O5 C6 C7 121.6(8) . . ?
O6 C6 C7 115.7(7) . . ?
N3 C7 C8 108.7(7) . . ?
N3 C7 C6 118.6(7) . . ?
C8 C7 C6 132.7(8) . . ?
N4 C8 C7 107.3(7) . . ?
N4 C8 C9 118.0(7) . . ?
C7 C8 C9 134.6(8) . . ?
O7 C9 O8 120.2(8) . . ?
O7 C9 C8 123.8(8) . . ?
O8 C9 C8 116.0(7) . . ?
N4 C10 N3 115.0(8) . . ?
N4 C10 H10 131(5) . . ?
N3 C10 H10 114(5) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.371
_refine_diff_density_min         -2.443
_refine_diff_density_rms         0.328