#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:23:47 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179576 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/41/4504108.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_4504108
loop_
_publ_author_name
'Luo, Feng'
'Hu, De-xin'
'Xue, Lin'
'Che, Yun-xia'
'Zheng, Ji-min'
_publ_section_title
;
 Pillared 3d−4f Frameworks with Rare 3D Architecture Showing the
 Coexistence of Ferromagnetic and Antiferromagnetic Interactions between
 Gadolinium Ions
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              851
_journal_paper_doi               10.1021/cg060823l
_journal_volume                  7
_journal_year                    2007
_chemical_formula_sum            'C60 H40 Cl4 Cu5 Gd3 N10 O27'
_chemical_formula_weight         2264.27
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 97.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.224(2)
_cell_length_b                   32.116(6)
_cell_length_c                   21.038(4)
_cell_measurement_reflns_used    24569
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.03
_cell_volume                     6842(2)
_computing_cell_refinement       'rapid auto'
_computing_data_collection       'rapid auto'
_computing_data_reduction        'rapid auto'
_computing_molecular_graphics    'SHELXTL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'rigaku r-axis rapid IP area detector'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            33397
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    4.636
_exptl_absorpt_correction_T_max  0.8696
_exptl_absorpt_correction_T_min  0.3312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4364
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.141
_refine_diff_density_min         -1.107
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         7967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0276P)²+4.0481P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0726
_reflns_number_gt                6179
_reflns_number_total             7967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg060823lsi20061121_070518.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4504108
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Cu1 Cu 0.93017(9) 0.0000 0.41212(5) 0.0435(2) Uani 1 2 d S
Cu2 Cu 0.44915(10) 0.0000 0.37414(5) 0.0460(2) Uani 1 2 d S
Cu3 Cu -0.00672(9) 0.0000 0.27969(5) 0.0441(2) Uani 1 2 d S
Cu4 Cu 0.43252(8) 0.0000 0.10767(5) 0.0387(2) Uani 1 2 d S
Cu5 Cu 0.16351(18) 0.0000 -0.03088(6) 0.0904(5) Uani 1 2 d S
Gd1 Gd 0.5000 0.240424(8) 0.5000 0.01617(7) Uani 1 2 d S
Gd2 Gd 0.375366(17) 0.253331(6) 0.206002(10) 0.01949(6) Uani 1 1 d .
Cl1 Cl 1.14938(14) 0.0000 0.38827(9) 0.0325(4) Uani 1 2 d S
Cl2 Cl 0.5000 0.0000 0.5000 0.0321(5) Uani 1 4 d S
Cl3 Cl -0.23370(15) 0.0000 0.29920(9) 0.0341(4) Uani 1 2 d S
Cl4 Cl 0.19780(14) 0.0000 0.09067(9) 0.0344(4) Uani 1 2 d S
Cl5 Cl 0.5000 0.0000 0.0000 0.0546(8) Uani 1 4 d S
C1 C 0.7685(4) 0.06597(13) 0.4529(2) 0.0256(9) Uani 1 1 d .
H1 H 0.7152 0.0439 0.4619 0.031 Uiso 1 1 calc R
C2 C 0.7247(4) 0.10597(13) 0.4606(2) 0.0213(9) Uani 1 1 d .
H2 H 0.6428 0.1105 0.4738 0.026 Uiso 1 1 calc R
C3 C 0.8033(3) 0.13951(12) 0.44854(19) 0.0156(8) Uani 1 1 d .
C4 C 0.9236(4) 0.13089(13) 0.4279(2) 0.0210(9) Uani 1 1 d .
H4 H 0.9790 0.1525 0.4191 0.025 Uiso 1 1 calc R
C5 C 0.9601(4) 0.09012(13) 0.4207(2) 0.0238(9) Uani 1 1 d .
H5 H 1.0408 0.0848 0.4066 0.029 Uiso 1 1 calc R
C6 C 0.7614(4) 0.18322(12) 0.46074(18) 0.0162(8) Uani 1 1 d .
C7 C 0.5259(4) 0.08022(14) 0.3240(2) 0.0287(10) Uani 1 1 d .
H7 H 0.5805 0.0649 0.3009 0.034 Uiso 1 1 calc R
C8 C 0.5295(4) 0.12280(13) 0.3204(2) 0.0239(9) Uani 1 1 d .
H8 H 0.5853 0.1357 0.2951 0.029 Uiso 1 1 calc R
C9 C 0.4494(4) 0.14681(13) 0.35482(19) 0.0192(8) Uani 1 1 d .
C10 C 0.3674(4) 0.12516(13) 0.3907(2) 0.0244(9) Uani 1 1 d .
H10 H 0.3113 0.1397 0.4140 0.029 Uiso 1 1 calc R
C11 C 0.3690(4) 0.08264(13) 0.3917(2) 0.0290(10) Uani 1 1 d .
H11 H 0.3128 0.0690 0.4160 0.035 Uiso 1 1 calc R
C12 C 0.4520(4) 0.19331(13) 0.35345(19) 0.0196(8) Uani 1 1 d .
C13 C 0.1519(4) 0.06825(14) 0.2428(2) 0.0317(10) Uani 1 1 d .
H13 H 0.2103 0.0474 0.2343 0.038 Uiso 1 1 calc R
C14 C 0.1917(4) 0.10913(13) 0.2406(2) 0.0249(9) Uani 1 1 d .
H14 H 0.2757 0.1156 0.2313 0.030 Uiso 1 1 calc R
C15 C 0.1055(4) 0.14059(12) 0.25245(19) 0.0178(8) Uani 1 1 d .
C16 C -0.0187(4) 0.12935(13) 0.2656(2) 0.0243(9) Uani 1 1 d .
H16 H -0.0800 0.1496 0.2728 0.029 Uiso 1 1 calc R
C17 C -0.0502(4) 0.08775(13) 0.2678(2) 0.0280(10) Uani 1 1 d .
H17 H -0.1332 0.0806 0.2776 0.034 Uiso 1 1 calc R
C18 C 0.1436(4) 0.18541(12) 0.24859(19) 0.0183(8) Uani 1 1 d .
C19 C 0.4004(4) 0.08805(14) 0.1282(2) 0.0269(9) Uani 1 1 d .
H19 H 0.3120 0.0818 0.1150 0.032 Uiso 1 1 calc R
C20 C 0.4357(4) 0.12917(13) 0.1372(2) 0.0252(9) Uani 1 1 d .
H20 H 0.3728 0.1502 0.1299 0.030 Uiso 1 1 calc R
C21 C 0.5670(4) 0.13862(13) 0.15715(19) 0.0188(8) Uani 1 1 d .
C22 C 0.6563(4) 0.10653(13) 0.1663(2) 0.0272(10) Uani 1 1 d .
H22 H 0.7454 0.1120 0.1789 0.033 Uiso 1 1 calc R
C23 C 0.6128(4) 0.06626(15) 0.1567(2) 0.0335(11) Uani 1 1 d .
H23 H 0.6741 0.0448 0.1637 0.040 Uiso 1 1 calc R
C24 C 0.6107(4) 0.18261(12) 0.1713(2) 0.0202(8) Uani 1 1 d .
C25 C 0.0423(6) -0.07716(18) -0.0807(3) 0.0520(15) Uani 1 1 d .
H25 H -0.0253 -0.0597 -0.0988 0.062 Uiso 1 1 calc R
C26 C 0.0258(5) -0.11925(16) -0.0888(2) 0.0364(11) Uani 1 1 d .
H26 H -0.0510 -0.1298 -0.1121 0.044 Uiso 1 1 calc R
C27 C 0.1238(4) -0.14583(13) -0.0620(2) 0.0250(9) Uani 1 1 d .
C28 C 0.2352(5) -0.12852(15) -0.0284(2) 0.0356(11) Uani 1 1 d .
H28 H 0.3033 -0.1455 -0.0093 0.043 Uiso 1 1 calc R
C29 C 0.2452(6) -0.08579(18) -0.0233(3) 0.0476(14) Uani 1 1 d .
H29 H 0.3222 -0.0746 -0.0013 0.057 Uiso 1 1 calc R
C30 C 0.1122(4) -0.19266(14) -0.0716(2) 0.0298(10) Uani 1 1 d .
N1 N 0.8849(3) 0.05756(11) 0.43309(18) 0.0233(8) Uani 1 1 d .
N2 N 0.4468(3) 0.05948(11) 0.35948(18) 0.0283(8) Uani 1 1 d .
N3 N 0.0324(3) 0.05710(11) 0.25654(19) 0.0267(8) Uani 1 1 d .
N4 N 0.4864(3) 0.05651(11) 0.13764(18) 0.0269(8) Uani 1 1 d .
N5 N 0.1502(5) -0.05977(14) -0.0483(2) 0.0497(12) Uani 1 1 d .
O1 O 0.6480(3) 0.18864(9) 0.47460(15) 0.0241(7) Uani 1 1 d .
O2 O 0.8430(2) 0.21203(8) 0.45625(14) 0.0220(6) Uani 1 1 d .
O3 O 0.5053(3) 0.21155(9) 0.31149(16) 0.0310(7) Uani 1 1 d .
O4 O 0.3968(3) 0.21239(8) 0.39624(13) 0.0203(6) Uani 1 1 d .
O5 O 0.2561(3) 0.19376(9) 0.23504(15) 0.0264(7) Uani 1 1 d .
O6 O 0.0597(3) 0.21228(9) 0.25970(15) 0.0249(6) Uani 1 1 d .
O7 O 0.5227(3) 0.21006(9) 0.16907(16) 0.0300(7) Uani 1 1 d .
O8 O 0.7310(3) 0.18890(10) 0.18577(16) 0.0325(8) Uani 1 1 d .
O9 O 0.0464(3) -0.20574(10) -0.12311(15) 0.0295(7) Uani 1 1 d .
O10 O 0.1706(5) -0.21478(12) -0.0290(2) 0.0679(13) Uani 1 1 d .
O11 O 0.3938(3) 0.27529(9) 0.59027(14) 0.0264(7) Uani 1 1 d .
O12 O 0.2934(3) 0.27768(10) 0.30633(14) 0.0276(7) Uani 1 1 d .
O13 O 0.2301(3) 0.22835(11) 0.11222(16) 0.0345(8) Uani 1 1 d .
O14 O 0.5000 0.2041(2) 0.0000 0.086(2) Uani 1 2 d S
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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
N1 Cu1 N1 139.50(19) 6 .
N1 Cu1 Cl1 107.85(10) 6 .
N1 Cu1 Cl1 107.85(10) . .
N1 Cu1 Cl3 93.46(11) 6 1_655
N1 Cu1 Cl3 93.46(11) . 1_655
Cl1 Cu1 Cl3 107.66(7) . 1_655
N1 Cu1 Cu3 107.50(11) 6 1_655
N1 Cu1 Cu3 107.50(11) . 1_655
Cl1 Cu1 Cu3 57.40(6) . 1_655
Cl3 Cu1 Cu3 50.26(4) 1_655 1_655
N2 Cu2 N2 161.8(2) 6 .
N2 Cu2 Cl2 99.03(12) 6 .
N2 Cu2 Cl2 99.03(12) . .
N3 Cu3 N3 139.8(2) . 6
N3 Cu3 Cl3 106.11(10) . .
N3 Cu3 Cl3 106.11(10) 6 .
N3 Cu3 Cl1 95.57(11) . 1_455
N3 Cu3 Cl1 95.57(12) 6 1_455
Cl3 Cu3 Cl1 109.82(7) . 1_455
N3 Cu3 Cu1 108.37(11) . 1_455
N3 Cu3 Cu1 108.37(11) 6 1_455
Cl3 Cu3 Cu1 59.84(6) . 1_455
Cl1 Cu3 Cu1 49.98(4) 1_455 1_455
N4 Cu4 N4 133.6(2) . 6
N4 Cu4 Cl4 106.21(11) . .
N4 Cu4 Cl4 106.21(11) 6 .
N4 Cu4 Cl5 101.13(11) . .
N4 Cu4 Cl5 101.13(11) 6 .
Cl4 Cu4 Cl5 105.51(6) . .
N5 Cu5 N5 158.0(3) . 6
N5 Cu5 Cl4 100.72(14) . .
N5 Cu5 Cl4 100.72(14) 6 .
O2 Gd1 O2 97.34(14) 7_656 8_455
O2 Gd1 O1 143.81(10) 7_656 2_656
O2 Gd1 O1 97.13(10) 8_455 2_656
O2 Gd1 O1 97.13(10) 7_656 .
O2 Gd1 O1 143.81(10) 8_455 .
O1 Gd1 O1 90.34(13) 2_656 .
O2 Gd1 O4 72.50(10) 7_656 2_656
O2 Gd1 O4 141.62(10) 8_455 2_656
O1 Gd1 O4 75.58(10) 2_656 2_656
O1 Gd1 O4 74.52(10) . 2_656
O2 Gd1 O4 141.62(10) 7_656 .
O2 Gd1 O4 72.50(10) 8_455 .
O1 Gd1 O4 74.52(10) 2_656 .
O1 Gd1 O4 75.58(10) . .
O4 Gd1 O4 137.07(13) 2_656 .
O2 Gd1 O11 76.05(9) 7_656 .
O2 Gd1 O11 70.47(10) 8_455 .
O1 Gd1 O11 77.89(9) 2_656 .
O1 Gd1 O11 145.48(10) . .
O4 Gd1 O11 71.16(9) 2_656 .
O4 Gd1 O11 129.92(9) . .
O2 Gd1 O11 70.47(10) 7_656 2_656
O2 Gd1 O11 76.05(9) 8_455 2_656
O1 Gd1 O11 145.48(10) 2_656 2_656
O1 Gd1 O11 77.89(9) . 2_656
O4 Gd1 O11 129.92(9) 2_656 2_656
O4 Gd1 O11 71.16(9) . 2_656
O11 Gd1 O11 128.35(13) . 2_656
O7 Gd2 O6 85.74(11) . 8
O7 Gd2 O8 147.70(12) . 8_455
O6 Gd2 O8 99.07(10) 8 8_455
O7 Gd2 O5 89.06(10) . .
O6 Gd2 O5 131.29(10) 8 .
O8 Gd2 O5 110.15(10) 8_455 .
O7 Gd2 O9 77.49(11) . 4
O6 Gd2 O9 76.45(11) 8 4
O8 Gd2 O9 72.77(11) 8_455 4
O5 Gd2 O9 148.60(11) . 4
O7 Gd2 O13 83.12(11) . .
O6 Gd2 O13 155.27(10) 8 .
O8 Gd2 O13 79.47(11) 8_455 .
O5 Gd2 O13 70.62(11) . .
O9 Gd2 O13 79.60(11) 4 .
O7 Gd2 O12 142.90(11) . .
O6 Gd2 O12 77.64(10) 8 .
O8 Gd2 O12 68.56(11) 8_455 .
O5 Gd2 O12 78.04(10) . .
O9 Gd2 O12 128.62(10) 4 .
O13 Gd2 O12 123.27(10) . .
O7 Gd2 O3 73.11(10) . .
O6 Gd2 O3 64.92(10) 8 .
O8 Gd2 O3 137.74(10) 8_455 .
O5 Gd2 O3 67.25(10) . .
O9 Gd2 O3 132.40(9) 4 .
O13 Gd2 O3 131.35(11) . .
O12 Gd2 O3 69.81(9) . .
Cu1 Cl1 Cu3 72.62(6) . 1_655
Cu2 Cl2 Cu2 180.0 5_656 .
Cu3 Cl3 Cu1 69.90(6) . 1_455
Cu4 Cl4 Cu5 98.52(8) . .
Cu4 Cl5 Cu4 180.00(4) . 5_655
N1 C1 C2 122.7(4) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C1 C2 C3 119.8(3) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C4 C3 C2 117.6(4) . .
C4 C3 C6 121.8(3) . .
C2 C3 C6 120.6(3) . .
C5 C4 C3 119.4(3) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
N1 C5 C4 123.2(3) . .
N1 C5 H5 118.4 . .
C4 C5 H5 118.4 . .
O1 C6 O2 124.3(4) . .
O1 C6 C3 117.9(3) . .
O2 C6 C3 117.8(3) . .
N2 C7 C8 123.1(4) . .
N2 C7 H7 118.5 . .
C8 C7 H7 118.5 . .
C7 C8 C9 120.0(4) . .
C7 C8 H8 120.0 . .
C9 C8 H8 120.0 . .
C10 C9 C8 116.5(4) . .
C10 C9 C12 121.7(4) . .
C8 C9 C12 121.9(4) . .
C11 C10 C9 120.1(4) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
N2 C11 C10 123.6(4) . .
N2 C11 H11 118.2 . .
C10 C11 H11 118.2 . .
O3 C12 O4 123.4(4) . .
O3 C12 C9 119.6(4) . .
O4 C12 C9 116.9(3) . .
N3 C13 C14 122.9(4) . .
N3 C13 H13 118.5 . .
C14 C13 H13 118.5 . .
C13 C14 C15 119.4(4) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
C16 C15 C14 118.0(4) . .
C16 C15 C18 121.0(3) . .
C14 C15 C18 121.0(3) . .
C17 C16 C15 119.0(4) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
N3 C17 C16 123.4(4) . .
N3 C17 H17 118.3 . .
C16 C17 H17 118.3 . .
O5 C18 O6 124.4(4) . .
O5 C18 C15 118.2(3) . .
O6 C18 C15 117.3(3) . .
N4 C19 C20 123.5(4) . .
N4 C19 H19 118.2 . .
C20 C19 H19 118.2 . .
C19 C20 C21 118.5(4) . .
C19 C20 H20 120.7 . .
C21 C20 H20 120.7 . .
C22 C21 C20 118.5(4) . .
C22 C21 C24 120.4(3) . .
C20 C21 C24 121.1(4) . .
C23 C22 C21 119.4(4) . .
C23 C22 H22 120.3 . .
C21 C22 H22 120.3 . .
N4 C23 C22 123.0(4) . .
N4 C23 H23 118.5 . .
C22 C23 H23 118.5 . .
O8 C24 O7 125.1(4) . .
O8 C24 C21 117.4(4) . .
O7 C24 C21 117.5(3) . .
N5 C25 C26 123.7(5) . .
N5 C25 H25 118.1 . .
C26 C25 H25 118.1 . .
C25 C26 C27 119.4(5) . .
C25 C26 H26 120.3 . .
C27 C26 H26 120.3 . .
C28 C27 C26 117.7(4) . .
C28 C27 C30 120.9(4) . .
C26 C27 C30 121.4(4) . .
C27 C28 C29 119.4(5) . .
C27 C28 H28 120.3 . .
C29 C28 H28 120.3 . .
N5 C29 C28 123.4(5) . .
N5 C29 H29 118.3 . .
C28 C29 H29 118.3 . .
O10 C30 O9 125.4(5) . .
O10 C30 C27 116.9(4) . .
O9 C30 C27 117.7(4) . .
C1 N1 C5 117.4(3) . .
C1 N1 Cu1 120.3(3) . .
C5 N1 Cu1 121.9(3) . .
C11 N2 C7 116.7(4) . .
C11 N2 Cu2 117.6(3) . .
C7 N2 Cu2 125.5(3) . .
C17 N3 C13 117.2(4) . .
C17 N3 Cu3 119.4(3) . .
C13 N3 Cu3 121.9(3) . .
C23 N4 C19 117.1(4) . .
C23 N4 Cu4 121.8(3) . .
C19 N4 Cu4 120.0(3) . .
C29 N5 C25 116.4(5) . .
C29 N5 Cu5 120.9(4) . .
C25 N5 Cu5 122.5(4) . .
C6 O1 Gd1 143.0(2) . .
C6 O2 Gd1 152.5(3) . 7_656
C12 O3 Gd2 126.0(3) . .
C12 O4 Gd1 128.4(2) . .
C18 O5 Gd2 138.3(3) . .
C18 O6 Gd2 139.3(3) . 8_455
C24 O7 Gd2 157.7(3) . .
C24 O8 Gd2 137.9(3) . 8
C30 O9 Gd2 127.7(3) . 4_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 1.970(3) 6
Cu1 N1 1.970(3) .
Cu1 Cl1 2.3634(17) .
Cu1 Cl3 2.712(2) 1_655
Cu1 Cu3 2.9453(16) 1_655
Cu2 N2 1.935(4) 6
Cu2 N2 1.935(4) .
Cu2 Cl2 2.6272(12) .
Cu3 N3 1.953(4) .
Cu3 N3 1.953(4) 6
Cu3 Cl3 2.4118(18) .
Cu3 Cl1 2.600(2) 1_455
Cu3 Cu1 2.9453(16) 1_455
Cu4 N4 1.975(4) .
Cu4 N4 1.975(4) 6
Cu4 Cl4 2.3771(18) .
Cu4 Cl5 2.4572(11) .
Cu5 N5 1.956(4) .
Cu5 N5 1.956(4) 6
Cu5 Cl4 2.533(2) .
Gd1 O2 2.313(3) 7_656
Gd1 O2 2.313(3) 8_455
Gd1 O1 2.359(3) 2_656
Gd1 O1 2.359(3) .
Gd1 O4 2.460(3) 2_656
Gd1 O4 2.460(3) .
Gd1 O11 2.570(3) .
Gd1 O11 2.570(3) 2_656
Gd2 O7 2.264(3) .
Gd2 O6 2.337(3) 8
Gd2 O8 2.373(3) 8_455
Gd2 O5 2.393(3) .
Gd2 O9 2.407(3) 4
Gd2 O13 2.436(3) .
Gd2 O12 2.501(3) .
Gd2 O3 2.771(3) .
Cl1 Cu3 2.600(2) 1_655
Cl2 Cu2 2.6272(12) 5_656
Cl3 Cu1 2.712(2) 1_455
Cl5 Cu4 2.4572(11) 5_655
C1 N1 1.341(5) .
C1 C2 1.377(6) .
C1 H1 0.9300 .
C2 C3 1.388(5) .
C2 H2 0.9300 .
C3 C4 1.387(5) .
C3 C6 1.500(5) .
C4 C5 1.376(6) .
C4 H4 0.9300 .
C5 N1 1.345(5) .
C5 H5 0.9300 .
C6 O1 1.246(4) .
C6 O2 1.258(4) .
C7 N2 1.349(6) .
C7 C8 1.370(6) .
C7 H7 0.9300 .
C8 C9 1.398(6) .
C8 H8 0.9300 .
C9 C10 1.389(5) .
C9 C12 1.494(6) .
C10 C11 1.366(6) .
C10 H10 0.9300 .
C11 N2 1.339(6) .
C11 H11 0.9300 .
C12 O3 1.246(5) .
C12 O4 1.282(5) .
C13 N3 1.342(5) .
C13 C14 1.377(6) .
C13 H13 0.9300 .
C14 C15 1.386(5) .
C14 H14 0.9300 .
C15 C16 1.384(5) .
C15 C18 1.496(5) .
C16 C17 1.377(6) .
C16 H16 0.9300 .
C17 N3 1.339(5) .
C17 H17 0.9300 .
C18 O5 1.252(5) .
C18 O6 1.261(5) .
C19 N4 1.338(5) .
C19 C20 1.375(6) .
C19 H19 0.9300 .
C20 C21 1.384(5) .
C20 H20 0.9300 .
C21 C22 1.373(5) .
C21 C24 1.499(6) .
C22 C23 1.374(6) .
C22 H22 0.9300 .
C23 N4 1.337(6) .
C23 H23 0.9300 .
C24 O8 1.242(5) .
C24 O7 1.256(5) .
C25 N5 1.336(7) .
C25 C26 1.370(7) .
C25 H25 0.9300 .
C26 C27 1.376(6) .
C26 H26 0.9300 .
C27 C28 1.373(6) .
C27 C30 1.520(6) .
C28 C29 1.379(7) .
C28 H28 0.9300 .
C29 N5 1.333(7) .
C29 H29 0.9300 .
C30 O10 1.232(6) .
C30 O9 1.265(5) .
O2 Gd1 2.313(3) 7_656
O6 Gd2 2.337(3) 8_455
O8 Gd2 2.373(3) 8
O9 Gd2 2.407(3) 4_545
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 Cu1 Cl1 Cu3 99.73(12) 6 1_655
N1 Cu1 Cl1 Cu3 -99.73(12) . 1_655
Cl3 Cu1 Cl1 Cu3 0.0 1_655 1_655
N2 Cu2 Cl2 Cu2 89(100) 6 5_656
N2 Cu2 Cl2 Cu2 -89(100) . 5_656
N3 Cu3 Cl3 Cu1 -102.21(12) . 1_455
N3 Cu3 Cl3 Cu1 102.21(12) 6 1_455
Cl1 Cu3 Cl3 Cu1 0.0 1_455 1_455
N4 Cu4 Cl4 Cu5 106.81(12) . .
N4 Cu4 Cl4 Cu5 -106.81(12) 6 .
Cl5 Cu4 Cl4 Cu5 0.0 . .
N5 Cu5 Cl4 Cu4 92.55(17) . .
N5 Cu5 Cl4 Cu4 -92.55(17) 6 .
N4 Cu4 Cl5 Cu4 -110.48(11) . 5_655
N4 Cu4 Cl5 Cu4 110.48(12) 6 5_655
Cl4 Cu4 Cl5 Cu4 0.00(3) . 5_655
N1 C1 C2 C3 -1.0(7) . .
C1 C2 C3 C4 1.1(6) . .
C1 C2 C3 C6 -176.0(4) . .
C2 C3 C4 C5 -0.4(6) . .
C6 C3 C4 C5 176.6(4) . .
C3 C4 C5 N1 -0.4(7) . .
C4 C3 C6 O1 174.8(4) . .
C2 C3 C6 O1 -8.3(6) . .
C4 C3 C6 O2 -5.1(6) . .
C2 C3 C6 O2 171.8(4) . .
N2 C7 C8 C9 0.4(7) . .
C7 C8 C9 C10 -1.0(6) . .
C7 C8 C9 C12 178.7(4) . .
C8 C9 C10 C11 0.7(6) . .
C12 C9 C10 C11 -178.9(4) . .
C9 C10 C11 N2 0.1(7) . .
C10 C9 C12 O3 -165.5(4) . .
C8 C9 C12 O3 14.8(6) . .
C10 C9 C12 O4 13.8(6) . .
C8 C9 C12 O4 -165.8(4) . .
N3 C13 C14 C15 -0.6(7) . .
C13 C14 C15 C16 -0.5(6) . .
C13 C14 C15 C18 -178.1(4) . .
C14 C15 C16 C17 1.4(6) . .
C18 C15 C16 C17 179.1(4) . .
C15 C16 C17 N3 -1.4(7) . .
C16 C15 C18 O5 -178.3(4) . .
C14 C15 C18 O5 -0.7(6) . .
C16 C15 C18 O6 2.1(6) . .
C14 C15 C18 O6 179.7(4) . .
N4 C19 C20 C21 -0.3(7) . .
C19 C20 C21 C22 0.9(6) . .
C19 C20 C21 C24 -176.6(4) . .
C20 C21 C22 C23 -1.3(7) . .
C24 C21 C22 C23 176.2(4) . .
C21 C22 C23 N4 1.0(8) . .
C22 C21 C24 O8 6.2(6) . .
C20 C21 C24 O8 -176.4(4) . .
C22 C21 C24 O7 -172.1(4) . .
C20 C21 C24 O7 5.3(6) . .
N5 C25 C26 C27 0.6(9) . .
C25 C26 C27 C28 -0.3(7) . .
C25 C26 C27 C30 -177.8(5) . .
C26 C27 C28 C29 -0.6(7) . .
C30 C27 C28 C29 176.8(4) . .
C27 C28 C29 N5 1.5(8) . .
C28 C27 C30 O10 30.7(7) . .
C26 C27 C30 O10 -151.9(5) . .
C28 C27 C30 O9 -147.7(4) . .
C26 C27 C30 O9 29.7(6) . .
C2 C1 N1 C5 0.2(7) . .
C2 C1 N1 Cu1 -171.7(3) . .
C4 C5 N1 C1 0.5(7) . .
C4 C5 N1 Cu1 172.3(3) . .
N1 Cu1 N1 C1 -24.6(6) 6 .
Cl1 Cu1 N1 C1 -175.3(3) . .
Cl3 Cu1 N1 C1 74.9(3) 1_655 .
Cu3 Cu1 N1 C1 124.1(3) 1_655 .
N1 Cu1 N1 C5 163.9(2) 6 .
Cl1 Cu1 N1 C5 13.1(4) . .
Cl3 Cu1 N1 C5 -96.7(3) 1_655 .
Cu3 Cu1 N1 C5 -47.4(4) 1_655 .
C10 C11 N2 C7 -0.7(7) . .
C10 C11 N2 Cu2 173.4(4) . .
C8 C7 N2 C11 0.5(7) . .
C8 C7 N2 Cu2 -173.2(3) . .
N2 Cu2 N2 C11 134.5(6) 6 .
Cl2 Cu2 N2 C11 -52.5(3) . .
N2 Cu2 N2 C7 -51.9(9) 6 .
Cl2 Cu2 N2 C7 121.1(4) . .
C16 C17 N3 C13 0.3(7) . .
C16 C17 N3 Cu3 166.3(4) . .
C14 C13 N3 C17 0.7(7) . .
C14 C13 N3 Cu3 -164.8(4) . .
N3 Cu3 N3 C17 156.4(3) 6 .
Cl3 Cu3 N3 C17 14.3(4) . .
Cl1 Cu3 N3 C17 -98.2(3) 1_455 .
Cu1 Cu3 N3 C17 -48.6(4) 1_455 .
N3 Cu3 N3 C13 -38.3(6) 6 .
Cl3 Cu3 N3 C13 179.6(3) . .
Cl1 Cu3 N3 C13 67.1(4) 1_455 .
Cu1 Cu3 N3 C13 116.7(4) 1_455 .
C22 C23 N4 C19 -0.4(7) . .
C22 C23 N4 Cu4 167.5(4) . .
C20 C19 N4 C23 0.0(7) . .
C20 C19 N4 Cu4 -168.1(4) . .
N4 Cu4 N4 C23 41.8(6) 6 .
Cl4 Cu4 N4 C23 174.5(4) . .
Cl5 Cu4 N4 C23 -75.5(4) . .
N4 Cu4 N4 C19 -150.7(3) 6 .
Cl4 Cu4 N4 C19 -17.9(4) . .
Cl5 Cu4 N4 C19 92.0(3) . .
C28 C29 N5 C25 -1.3(8) . .
C28 C29 N5 Cu5 173.1(4) . .
C26 C25 N5 C29 0.2(8) . .
C26 C25 N5 Cu5 -174.0(4) . .
N5 Cu5 N5 C29 138.6(7) 6 .
Cl4 Cu5 N5 C29 -54.8(4) . .
N5 Cu5 N5 C25 -47.3(11) 6 .
Cl4 Cu5 N5 C25 119.2(4) . .
O2 C6 O1 Gd1 0.1(7) . .
C3 C6 O1 Gd1 -179.8(3) . .
O2 Gd1 O1 C6 -27.4(4) 7_656 .
O2 Gd1 O1 C6 85.5(5) 8_455 .
O1 Gd1 O1 C6 -171.9(5) 2_656 .
O4 Gd1 O1 C6 -97.0(4) 2_656 .
O4 Gd1 O1 C6 114.2(4) . .
O11 Gd1 O1 C6 -103.1(4) . .
O11 Gd1 O1 C6 40.8(4) 2_656 .
O1 C6 O2 Gd1 79.8(7) . 7_656
C3 C6 O2 Gd1 -100.3(6) . 7_656
O4 C12 O3 Gd2 -72.7(5) . .
C9 C12 O3 Gd2 106.6(4) . .
O7 Gd2 O3 C12 -130.4(3) . .
O6 Gd2 O3 C12 136.4(4) 8 .
O8 Gd2 O3 C12 61.2(4) 8_455 .
O5 Gd2 O3 C12 -34.1(3) . .
O9 Gd2 O3 C12 175.3(3) 4 .
O13 Gd2 O3 C12 -66.1(4) . .
O12 Gd2 O3 C12 51.0(3) . .
O3 C12 O4 Gd1 -84.6(5) . .
C9 C12 O4 Gd1 96.1(4) . .
O2 Gd1 O4 C12 60.4(4) 7_656 .
O2 Gd1 O4 C12 139.9(3) 8_455 .
O1 Gd1 O4 C12 -117.3(3) 2_656 .
O1 Gd1 O4 C12 -22.8(3) . .
O4 Gd1 O4 C12 -69.9(3) 2_656 .
O11 Gd1 O4 C12 -176.2(3) . .
O11 Gd1 O4 C12 59.1(3) 2_656 .
O6 C18 O5 Gd2 -11.5(7) . .
C15 C18 O5 Gd2 169.0(3) . .
O7 Gd2 O5 C18 -162.4(4) . .
O6 Gd2 O5 C18 114.1(4) 8 .
O8 Gd2 O5 C18 -9.0(4) 8_455 .
O9 Gd2 O5 C18 -98.7(4) 4 .
O13 Gd2 O5 C18 -79.4(4) . .
O12 Gd2 O5 C18 52.6(4) . .
O3 Gd2 O5 C18 125.5(4) . .
O5 C18 O6 Gd2 97.0(5) . 8_455
C15 C18 O6 Gd2 -83.5(5) . 8_455
O8 C24 O7 Gd2 -83.9(8) . .
C21 C24 O7 Gd2 94.2(8) . .
O6 Gd2 O7 C24 67.8(7) 8 .
O8 Gd2 O7 C24 168.0(7) 8_455 .
O5 Gd2 O7 C24 -63.8(7) . .
O9 Gd2 O7 C24 144.8(8) 4 .
O13 Gd2 O7 C24 -134.4(7) . .
O12 Gd2 O7 C24 4.8(8) . .
O3 Gd2 O7 C24 2.7(7) . .
O7 C24 O8 Gd2 -7.7(7) . 8
C21 C24 O8 Gd2 174.1(3) . 8
O10 C30 O9 Gd2 -60.6(6) . 4_545
C27 C30 O9 Gd2 117.6(4) . 4_545
