#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:55:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179906 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/02/7020265.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_7020265
loop_
_publ_author_name
'Chesman, Anthony S. R.'
'Turner, David R.'
'Berry, Kevin J.'
'Chilton, Nicholas F.'
'Moubaraki, Boujemaa'
'Murray, Keith S.'
'Deacon, Glen B.'
'Batten, Stuart R.'
_publ_section_title
;
 Ln(III)2Mn(III)2 heterobimetallic "butterfly" complexes
 displaying antiferromagnetic coupling (Ln = Eu, Gd, Tb, Er).
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11402
_journal_page_last               11412
_journal_paper_doi               10.1039/c2dt31144e
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety
'C24 H16 Gd2 Mn2 N24 O18, 3(H2 O), 8(C2 H3 N)'
_chemical_formula_sum            'C40 H46 Gd2 Mn2 N32 O21'
_chemical_formula_weight         1735.47
_chemical_name_common            '[Gd2Mn2(O)2(ccnm)6(dcnm)2(H2O)2].3H2O.8MeCN'
_chemical_name_systematic
;
[Bis(aqua)hexakis(carbamoylcyanonitrosomethanide)bis
(dicyanonitrosomethanide)bis(oxo)dimanganese(III)digadolinium
(III)].trihydrate.octaacetonitrile
;
_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                89.992(4)
_cell_angle_beta                 112.274(4)
_cell_angle_gamma                90.175(4)
_cell_formula_units_Z            1
_cell_length_a                   12.0873(10)
_cell_length_b                   13.5327(12)
_cell_length_c                   13.5370(11)
_cell_measurement_reflns_used    23496
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.82
_cell_volume                     2049.1(3)
_computing_cell_refinement       'Bruker SMART (Bruker)'
_computing_data_collection       'Bruker SMART (Bruker)'
_computing_data_reduction        'Bruker SAINT (Bruker)'
_computing_molecular_graphics    'X-Seed (Barbour, 1999)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(1)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker X8 Apex II CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23496
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.974
_exptl_absorpt_correction_T_max  0.6936
_exptl_absorpt_correction_T_min  0.4386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.169
_refine_diff_density_min         -1.839
_refine_diff_density_rms         0.201
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         9268
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.232
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1347
_reflns_number_gt                8284
_reflns_number_total             9268
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31144e.txt
_cod_data_source_block           C:\GdMn\P-1NEW2.CIF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7020265
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.02250(2) 0.144365(16) 0.309162(18) 0.01013(10) Uani 1 1 d . . .
Mn1 Mn 0.08485(7) -0.06366(5) 0.48918(6) 0.00990(16) Uani 1 1 d . . .
O1 O 0.0396(3) 0.0674(2) 0.4624(3) 0.0111(7) Uani 1 1 d . . .
O2 O -0.0294(4) -0.0236(3) 0.2400(3) 0.0149(7) Uani 1 1 d . . .
O3 O 0.2185(3) -0.0515(3) 0.4385(3) 0.0147(7) Uani 1 1 d . . .
O4 O 0.1560(4) 0.1525(3) 0.2162(3) 0.0184(8) Uani 1 1 d . . .
O5 O -0.2260(3) 0.0473(3) 0.3503(3) 0.0165(8) Uani 1 1 d . . .
O6 O -0.1230(3) 0.1556(3) 0.1292(3) 0.0157(7) Uani 1 1 d . . .
O7 O -0.1122(3) 0.2070(3) 0.4927(3) 0.0142(7) Uani 1 1 d . . .
O10 O 0.30844(18) 0.14912(6) 0.6361(3) 0.0327(11) Uani 1 1 d D . .
O8 O -0.0133(4) 0.3171(3) 0.2674(3) 0.0166(8) Uani 1 1 d . . .
O9 O 0.1895(3) 0.2287(3) 0.4396(3) 0.0219(8) Uani 1 1 d D . .
O12 O 0.3905(14) 0.4016(17) 0.649(2) 0.137(11) Uani 0.50 1 d PU . .
N1 N -0.0308(4) -0.0966(3) 0.3017(4) 0.0135(8) Uani 1 1 d . . .
N2 N -0.2091(7) -0.1752(5) 0.0498(5) 0.0471(18) Uani 1 1 d . . .
N3 N -0.1133(5) -0.3293(4) 0.3540(4) 0.0226(10) Uani 1 1 d . . .
N4 N 0.2016(4) 0.0197(3) 0.3682(3) 0.0129(8) Uani 1 1 d . . .
N5 N 0.4615(6) -0.0854(6) 0.3634(6) 0.0479(19) Uani 1 1 d . . .
N6 N 0.3141(5) 0.1060(4) 0.1782(4) 0.0234(11) Uani 1 1 d . . .
H6A H 0.2960 0.1478 0.1247 0.028 Uiso 1 1 calc R . .
H6B H 0.3773 0.0678 0.1939 0.028 Uiso 1 1 calc R . .
N7 N -0.1953(4) 0.0861(3) 0.2764(3) 0.0136(8) Uani 1 1 d . . .
N8 N -0.4787(5) 0.0028(5) 0.1305(5) 0.0368(14) Uani 1 1 d . . .
N9 N -0.2970(5) 0.1189(5) -0.0028(4) 0.0283(12) Uani 1 1 d . . .
H9A H -0.2722 0.1419 -0.0517 0.034 Uiso 1 1 calc R . .
H9B H -0.3695 0.0941 -0.0217 0.034 Uiso 1 1 calc R . .
N10 N -0.0775(4) 0.2449(3) 0.4184(3) 0.0135(8) Uani 1 1 d . . .
N11 N -0.1766(7) 0.4545(4) 0.5059(5) 0.0391(15) Uani 1 1 d . . .
N12 N -0.0651(5) 0.4710(4) 0.2945(4) 0.0251(11) Uani 1 1 d . . .
H12A H -0.0447 0.4954 0.2435 0.030 Uiso 1 1 calc R . .
H12B H -0.0936 0.5102 0.3310 0.030 Uiso 1 1 calc R . .
N14 N -0.0132(9) 0.5750(6) 0.1243(7) 0.059(2) Uani 1 1 d . . .
N16 N -0.1368(5) 0.1231(8) -0.1345(9) 0.036(3) Uiso 0.50 1 d PD A -1
N17 N -0.1849(13) 0.1680(10) -0.1652(9) 0.041(4) Uani 0.440(14) 1 d PDU A 1
N18 N -0.3308(4) 0.323(2) -0.1686(12) 0.131(12) Uani 0.560(14) 1 d PDU A 2
C1 C -0.0937(5) -0.1740(4) 0.2534(4) 0.0156(10) Uani 1 1 d . . .
C2 C -0.1586(6) -0.1747(4) 0.1399(5) 0.0264(13) Uani 1 1 d . . .
C3 C -0.1024(5) -0.2586(4) 0.3130(4) 0.0176(11) Uani 1 1 d . . .
C4 C 0.2776(5) 0.0258(4) 0.3218(4) 0.0173(10) Uani 1 1 d . . .
C5 C 0.3786(6) -0.0373(5) 0.3458(5) 0.0271(13) Uani 1 1 d . . .
C6 C 0.2462(5) 0.1004(4) 0.2351(4) 0.0162(10) Uani 1 1 d . . .
C7 C -0.2706(5) 0.0821(4) 0.1785(4) 0.0165(10) Uani 1 1 d . . .
C8 C -0.3862(5) 0.0376(5) 0.1515(4) 0.0215(12) Uani 1 1 d . . .
C9 C -0.2255(5) 0.1216(4) 0.0987(4) 0.0160(10) Uani 1 1 d . . .
C10 C -0.0904(5) 0.3388(4) 0.4018(4) 0.0169(10) Uani 1 1 d . . .
C11 C -0.1387(6) 0.4017(4) 0.4597(5) 0.0238(12) Uani 1 1 d . . .
C12 C -0.0530(5) 0.3763(4) 0.3161(4) 0.0163(10) Uani 1 1 d . . .
C15 C -0.0091(8) 0.6199(6) 0.0548(6) 0.0403(18) Uani 1 1 d . . .
C16 C -0.0020(12) 0.6764(7) -0.0322(7) 0.064(3) Uani 1 1 d . . .
H16A H -0.0206 0.6338 -0.0950 0.097 Uiso 1 1 calc R . .
H16B H 0.0791 0.7032 -0.0121 0.097 Uiso 1 1 calc R . .
H16C H -0.0594 0.7309 -0.0488 0.097 Uiso 1 1 calc R . .
C13 C 0.4950(9) 0.2402(8) 0.3988(8) 0.056(2) Uani 1 1 d . . .
C17 C 0.3049(4) 0.3889(8) 0.2069(9) 0.046(4) Uani 0.50 1 d PD B 1
C18 C 0.2545(5) 0.4361(10) 0.2846(10) 0.046(4) Uani 0.50 1 d PD B 1
H18D H 0.2919 0.5009 0.3075 0.069 Uiso 0.50 1 calc PR B 1
H18E H 0.2716 0.3933 0.3470 0.069 Uiso 0.50 1 calc PR B 1
H18F H 0.1678 0.4442 0.2486 0.069 Uiso 0.50 1 calc PR B 1
C19 C -0.0698(5) 0.0695(8) -0.0747(9) 0.027(3) Uiso 0.50 1 d PD A -1
N13 N 0.4120(9) 0.2489(9) 0.4208(9) 0.079(3) Uani 1 1 d . . .
C14 C 0.5932(10) 0.2294(13) 0.3651(14) 0.106(6) Uani 1 1 d . . .
H14A H 0.6203 0.1606 0.3747 0.159 Uiso 1 1 calc R . .
H14B H 0.6589 0.2728 0.4079 0.159 Uiso 1 1 calc R . .
H14C H 0.5675 0.2474 0.2896 0.159 Uiso 1 1 calc R . .
C20 C 0.0173(10) -0.0030(10) 0.0047(11) 0.020(2) Uiso 0.50 1 d PD A -1
H20A H 0.0073 0.0004 0.0732 0.030 Uiso 0.50 1 calc PR A -1
H20B H 0.0996 0.0149 0.0152 0.030 Uiso 0.50 1 calc PR A -1
H20C H 0.0002 -0.0703 -0.0237 0.030 Uiso 0.50 1 calc PR A -1
H10B H 0.3752 0.1477 0.6271 0.148 Uiso 1 1 d D . .
H10A H 0.2773 0.0909 0.6264 0.047 Uiso 1 1 d D . .
C21 C -0.2037(12) 0.2217(9) -0.2365(8) 0.030(4) Uani 0.440(14) 1 d PDU A 1
C22 C -0.230(2) 0.2918(16) -0.3322(15) 0.038(6) Uani 0.440(14) 1 d PDU A 1
H22A H -0.1649 0.2876 -0.3587 0.057 Uiso 0.50 1 calc PR A 1
H22B H -0.2358 0.3597 -0.3098 0.057 Uiso 0.50 1 calc PR A 1
H22C H -0.3054 0.2726 -0.3892 0.057 Uiso 0.50 1 calc PR A 1
C23 C -0.2912(4) 0.3088(14) -0.2330(13) 0.075(6) Uani 0.560(14) 1 d PDU A 2
C24 C -0.237(2) 0.291(2) -0.3173(17) 0.087(13) Uani 0.560(14) 1 d PDU A 2
H24A H -0.1642 0.3309 -0.3004 0.130 Uiso 0.50 1 calc PR A 2
H24B H -0.2946 0.3087 -0.3880 0.130 Uiso 0.50 1 calc PR A 2
H24C H -0.2161 0.2205 -0.3172 0.130 Uiso 0.50 1 calc PR A 2
H9OA H 0.2382(8) 0.239(7) 0.4080(18) 0.09(4) Uiso 1 1 d D . .
H9OB H 0.226(4) 0.196(7) 0.498(5) 0.08(4) Uiso 1 1 d D . .
N15 N 0.3424(18) 0.3516(13) 0.1491(14) 0.072(5) Uani 0.50 1 d PD B 1
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'
Mn Mn 0.3368 0.7283 '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
O1 Gd1 O4 131.09(13) . .
O1 Gd1 O9 77.55(13) . .
O4 Gd1 O9 79.60(14) . .
O1 Gd1 O8 127.54(13) . .
O4 Gd1 O8 86.04(13) . .
O9 Gd1 O8 74.93(13) . .
O1 Gd1 O6 137.39(13) . .
O4 Gd1 O6 81.08(13) . .
O9 Gd1 O6 143.10(13) . .
O8 Gd1 O6 72.64(13) . .
O1 Gd1 O2 81.05(12) . .
O4 Gd1 O2 88.05(13) . .
O9 Gd1 O2 137.88(13) . .
O8 Gd1 O2 144.60(13) . .
O6 Gd1 O2 71.97(13) . .
O1 Gd1 N7 75.76(13) . .
O4 Gd1 N7 139.35(14) . .
O9 Gd1 N7 140.89(13) . .
O8 Gd1 N7 99.80(14) . .
O6 Gd1 N7 63.02(13) . .
O2 Gd1 N7 64.06(13) . .
O1 Gd1 N10 67.85(13) . .
O4 Gd1 N10 145.13(14) . .
O9 Gd1 N10 77.20(13) . .
O8 Gd1 N10 63.00(13) . .
O6 Gd1 N10 102.74(13) . .
O2 Gd1 N10 126.39(13) . .
N7 Gd1 N10 66.50(14) . .
O1 Gd1 N4 69.19(13) . .
O4 Gd1 N4 63.02(13) . .
O9 Gd1 N4 73.43(13) . .
O8 Gd1 N4 138.89(14) . .
O6 Gd1 N4 123.52(13) . .
O2 Gd1 N4 65.13(13) . .
N7 Gd1 N4 121.31(14) . .
N10 Gd1 N4 131.92(13) . .
O1 Gd1 Mn1 25.82(9) . 2_556
O4 Gd1 Mn1 156.67(9) . 2_556
O9 Gd1 Mn1 91.69(10) . 2_556
O8 Gd1 Mn1 112.74(9) . 2_556
O6 Gd1 Mn1 116.80(9) . 2_556
O2 Gd1 Mn1 84.04(9) . 2_556
N7 Gd1 Mn1 53.91(10) . 2_556
N10 Gd1 Mn1 49.79(9) . 2_556
N4 Gd1 Mn1 93.81(9) . 2_556
O1 Gd1 Mn1 25.60(9) . .
O4 Gd1 Mn1 112.26(9) . .
O9 Gd1 Mn1 88.30(10) . .
O8 Gd1 Mn1 152.78(9) . .
O6 Gd1 Mn1 128.23(9) . .
O2 Gd1 Mn1 59.47(8) . .
N7 Gd1 Mn1 79.69(10) . .
N10 Gd1 Mn1 92.76(9) . .
N4 Gd1 Mn1 49.74(9) . .
Mn1 Gd1 Mn1 45.33(2) 2_556 .
O1 Mn1 O1 82.73(16) . 2_556
O1 Mn1 O7 172.94(17) . 2_556
O1 Mn1 O7 93.00(15) 2_556 2_556
O1 Mn1 O3 94.26(15) . .
O1 Mn1 O3 176.78(16) 2_556 .
O7 Mn1 O3 90.11(15) 2_556 .
O1 Mn1 O5 99.17(15) . 2_556
O1 Mn1 O5 94.73(15) 2_556 2_556
O7 Mn1 O5 86.74(15) 2_556 2_556
O3 Mn1 O5 84.60(15) . 2_556
O1 Mn1 N1 87.70(15) . .
O1 Mn1 N1 98.14(15) 2_556 .
O7 Mn1 N1 87.35(15) 2_556 .
O3 Mn1 N1 82.84(16) . .
O5 Mn1 N1 166.10(15) 2_556 .
O1 Mn1 Mn1 41.39(11) . 2_556
O1 Mn1 Mn1 41.34(11) 2_556 2_556
O7 Mn1 Mn1 134.08(12) 2_556 2_556
O3 Mn1 Mn1 135.64(12) . 2_556
O5 Mn1 Mn1 99.27(11) 2_556 2_556
N1 Mn1 Mn1 93.88(11) . 2_556
O1 Mn1 Gd1 105.81(11) . 2_556
O1 Mn1 Gd1 32.07(11) 2_556 2_556
O7 Mn1 Gd1 72.54(10) 2_556 2_556
O3 Mn1 Gd1 149.18(11) . 2_556
O5 Mn1 Gd1 69.50(10) 2_556 2_556
N1 Mn1 Gd1 120.40(11) . 2_556
Mn1 Mn1 Gd1 67.45(3) 2_556 2_556
O1 Mn1 Gd1 31.82(11) . .
O1 Mn1 Gd1 105.53(11) 2_556 .
O7 Mn1 Gd1 146.63(11) 2_556 .
O3 Mn1 Gd1 72.14(11) . .
O5 Mn1 Gd1 118.27(10) 2_556 .
N1 Mn1 Gd1 63.06(10) . .
Mn1 Mn1 Gd1 67.21(3) 2_556 .
Gd1 Mn1 Gd1 134.67(2) 2_556 .
Mn1 O1 Mn1 97.27(16) . 2_556
Mn1 O1 Gd1 122.58(17) . .
Mn1 O1 Gd1 122.11(17) 2_556 .
N1 O2 Gd1 121.6(3) . .
N4 O3 Mn1 112.6(3) . .
C6 O4 Gd1 125.4(3) . .
N7 O5 Mn1 112.2(3) . 2_556
C9 O6 Gd1 124.7(3) . .
N10 O7 Mn1 112.8(3) . 2_556
C12 O8 Gd1 125.0(3) . .
O2 N1 C1 115.6(4) . .
O2 N1 Mn1 113.0(3) . .
C1 N1 Mn1 131.4(3) . .
C4 N4 O3 116.8(4) . .
C4 N4 Gd1 117.8(3) . .
O3 N4 Gd1 125.3(3) . .
C7 N7 O5 118.5(5) . .
C7 N7 Gd1 117.2(3) . .
O5 N7 Gd1 123.5(3) . .
C10 N10 O7 117.3(4) . .
C10 N10 Gd1 117.8(4) . .
O7 N10 Gd1 124.9(3) . .
N17 N16 C19 167(2) . .
N17 N16 C21 24.2(11) . .
C19 N16 C21 162.9(8) . .
N16 N17 C21 139(2) . .
N1 C1 C3 120.7(5) . .
N1 C1 C2 121.0(5) . .
C3 C1 C2 118.3(5) . .
N2 C2 C1 179.5(8) . .
N3 C3 C1 175.3(6) . .
N4 C4 C5 123.7(5) . .
N4 C4 C6 114.2(5) . .
C5 C4 C6 122.0(5) . .
N5 C5 C4 177.5(7) . .
O4 C6 N6 122.5(5) . .
O4 C6 C4 119.5(5) . .
N6 C6 C4 118.0(5) . .
N7 C7 C8 121.1(5) . .
N7 C7 C9 115.0(5) . .
C8 C7 C9 123.8(5) . .
N8 C8 C7 179.3(8) . .
O6 C9 N9 122.5(5) . .
O6 C9 C7 119.2(5) . .
N9 C9 C7 118.3(5) . .
N10 C10 C11 122.8(5) . .
N10 C10 C12 114.8(5) . .
C11 C10 C12 122.4(5) . .
N11 C11 C10 178.4(7) . .
O8 C12 N12 123.1(5) . .
O8 C12 C10 119.1(5) . .
N12 C12 C10 117.8(5) . .
N14 C15 C16 179.1(12) . .
N13 C13 C14 176.7(13) . .
N15 C17 C18 178.7(7) . .
N16 C19 C20 178.9(7) . .
N17 C21 C22 179.1(11) . .
N17 C21 N16 17.2(9) . .
C22 C21 N16 162.8(14) . .
N18 C23 C24 179.0(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.260(3) .
Gd1 O4 2.395(4) .
Gd1 O9 2.404(4) .
Gd1 O8 2.406(4) .
Gd1 O6 2.409(4) .
Gd1 O2 2.446(4) .
Gd1 N7 2.618(4) .
Gd1 N10 2.620(4) .
Gd1 N4 2.623(4) .
Gd1 Mn1 3.6061(8) 2_556
Gd1 Mn1 3.6125(8) .
Mn1 O1 1.852(4) .
Mn1 O1 1.854(4) 2_556
Mn1 O7 1.968(4) 2_556
Mn1 O3 1.987(4) .
Mn1 O5 2.207(4) 2_556
Mn1 N1 2.429(5) .
Mn1 Mn1 2.7819(15) 2_556
Mn1 Gd1 3.6061(8) 2_556
O1 Mn1 1.854(4) 2_556
O2 N1 1.299(5) .
O3 N4 1.314(5) .
O4 C6 1.244(7) .
O5 N7 1.301(6) .
O5 Mn1 2.207(4) 2_556
O6 C9 1.236(7) .
O7 N10 1.330(5) .
O7 Mn1 1.968(4) 2_556
O8 C12 1.245(7) .
N1 C1 1.311(7) .
N2 C2 1.138(9) .
N3 C3 1.138(8) .
N4 C4 1.298(7) .
N5 C5 1.143(9) .
N6 C6 1.323(7) .
N7 C7 1.294(7) .
N8 C8 1.144(8) .
N9 C9 1.317(7) .
N10 C10 1.290(7) .
N11 C11 1.153(8) .
N12 C12 1.311(7) .
N14 C15 1.136(10) .
N16 N17 0.835(14) .
N16 C19 1.16004(14) .
N16 C21 1.870(13) .
N17 C21 1.16002(15) .
N18 C23 1.16003(15) .
C1 C3 1.427(7) .
C1 C2 1.437(8) .
C4 C5 1.425(8) .
C4 C6 1.484(7) .
C7 C8 1.434(8) .
C7 C9 1.481(7) .
C10 C11 1.424(8) .
C10 C12 1.484(7) .
C15 C16 1.434(10) .
C13 N13 1.156(13) .
C13 C14 1.431(16) .
C17 N15 1.16006(14) .
C17 C18 1.54006(15) .
C19 C20 1.54004(16) .
C21 C22 1.54002(16) .
C23 C24 1.54003(15) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N6 H6A N2 0.88 2.22 3.009(8) 148.6 2
N12 H12A N14 0.88 2.09 2.962(8) 170.0 .
N12 H12B N3 0.88 2.22 2.943(7) 139.1 1_565
N9 H9A N17 0.88 2.20 3.059(13) 166.6 .
N9 H9B N8 0.88 2.28 3.078(8) 150.9 2_455
O9 H9OB O10 0.86 1.87(2) 2.722(6) 169(11) .
O9 H9OA N13 0.86 2.045(11) 2.808(10) 147.4(12) .
O10 H10A O5 0.86 2.03 2.866(4) 163.6 2_556
O10 H10B N5 0.86 2.11 2.911(6) 155.2 2_656
