#------------------------------------------------------------------------------
#$Date: 2016-10-08 01:23:00 +0300 (Sat, 08 Oct 2016) $
#$Revision: 187134 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/87/7038705.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_7038705
loop_
_publ_author_name
'Fieser, Megan E.'
'Woen, David H.'
'Corbey, Jordan F.'
'Mueller, Thomas J.'
'Ziller, Joseph W.'
'Evans, William J.'
_publ_section_title
;
 Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14634
_journal_page_last               14644
_journal_paper_doi               10.1039/c5dt04547a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C58 H84 Gd2 N2 O2'
_chemical_formula_weight         1155.77
_chemical_name_common            2-Gd
_chemical_name_systematic        '[(C5Me4H)2(THF)Gd]2(μ-η2:η2-N2)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-07-26 deposited with the CCDC.
2016-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.7734(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.2453(7)
_cell_length_b                   13.9938(6)
_cell_length_c                   25.6281(11)
_cell_measurement_reflns_used    9913
_cell_measurement_temperature    88(2)
_cell_measurement_theta_max      29.02
_cell_measurement_theta_min      2.36
_cell_volume                     5286.7(4)
_computing_cell_refinement       'Bruker SAINT 8.34a, 2013'
_computing_data_collection       'Bruker APEX2 2014.9-0, 2014'
_computing_data_reduction        'Bruker SAINT 8.34a, 2013'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL 2014/4'
_diffrn_ambient_temperature      88(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            32162
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         29.209
_diffrn_reflns_theta_min         1.644
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.529
_exptl_absorpt_correction_T_max  0.6846
_exptl_absorpt_correction_T_min  0.5341
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS 2014/5'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    not_measured
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.374
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.237
_refine_diff_density_max         0.752
_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         6785
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0190
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0129P)²+9.7966P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0425
_refine_ls_wR_factor_ref         0.0449
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6008
_reflns_number_total             6785
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt04547a2.cif
_cod_data_source_block           mef35
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7038699--7038708.cif.
;
_cod_database_code               7038705
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.451
_shelx_estimated_absorpt_t_max   0.586
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.60734(2) 0.50451(2) 0.33167(2) 0.01700(3) Uani 1 1 d . . . . .
O1 O 0.74359(9) 0.48480(10) 0.29613(5) 0.0260(3) Uani 1 1 d . . . . .
N1 N 0.47012(11) 0.50110(10) 0.26268(6) 0.0202(3) Uani 1 1 d . . . . .
C1 C 0.53479(13) 0.67251(13) 0.35230(8) 0.0262(4) Uani 1 1 d . . . . .
C2 C 0.59306(14) 0.64785(13) 0.40254(8) 0.0258(4) Uani 1 1 d . . . . .
C3 C 0.68414(13) 0.65346(12) 0.39835(7) 0.0227(4) Uani 1 1 d . . . . .
C4 C 0.68183(13) 0.68337(12) 0.34509(7) 0.0218(4) Uani 1 1 d . . . . .
C5 C 0.58982(13) 0.69463(13) 0.31667(8) 0.0242(4) Uani 1 1 d . . . . .
H5A H 0.5684 0.7137 0.2801 0.029 Uiso 1 1 calc R U . . .
C6 C 0.43346(15) 0.68328(16) 0.33982(11) 0.0397(5) Uani 1 1 d . . . . .
H6A H 0.4098 0.6437 0.3647 0.060 Uiso 1 1 calc R U . . .
H6B H 0.4063 0.6628 0.3026 0.060 Uiso 1 1 calc R U . . .
H6C H 0.4182 0.7504 0.3440 0.060 Uiso 1 1 calc R U . . .
C7 C 0.5650(2) 0.63771(18) 0.45474(10) 0.0464(6) Uani 1 1 d . . . . .
H7A H 0.5092 0.5997 0.4484 0.070 Uiso 1 1 calc R U . . .
H7B H 0.5541 0.7012 0.4680 0.070 Uiso 1 1 calc R U . . .
H7C H 0.6133 0.6057 0.4816 0.070 Uiso 1 1 calc R U . . .
C8 C 0.76804(15) 0.64155(15) 0.44400(8) 0.0317(4) Uani 1 1 d . . . . .
H8A H 0.8197 0.6258 0.4294 0.048 Uiso 1 1 calc R U . . .
H8B H 0.7585 0.5899 0.4678 0.048 Uiso 1 1 calc R U . . .
H8C H 0.7805 0.7012 0.4646 0.048 Uiso 1 1 calc R U . . .
C9 C 0.76166(14) 0.70957(14) 0.32376(8) 0.0286(4) Uani 1 1 d . . . . .
H9A H 0.7492 0.6918 0.2856 0.043 Uiso 1 1 calc R U . . .
H9B H 0.8156 0.6754 0.3442 0.043 Uiso 1 1 calc R U . . .
H9C H 0.7723 0.7786 0.3275 0.043 Uiso 1 1 calc R U . . .
C10 C 0.53431(15) 0.38044(13) 0.38852(8) 0.0279(4) Uani 1 1 d . . . . .
C11 C 0.54808(15) 0.32599(13) 0.34446(8) 0.0269(4) Uani 1 1 d . . . . .
C12 C 0.64236(15) 0.31199(13) 0.35188(8) 0.0264(4) Uani 1 1 d . . . . .
C13 C 0.68774(15) 0.35704(13) 0.40077(8) 0.0283(4) Uani 1 1 d . . . . .
C14 C 0.62030(16) 0.39835(14) 0.42329(8) 0.0309(5) Uani 1 1 d . . . . .
C15 C 0.44359(17) 0.40567(16) 0.39820(9) 0.0374(5) Uani 1 1 d . . . . .
H15A H 0.4523 0.4513 0.4281 0.056 Uiso 1 1 calc R U . . .
H15B H 0.4146 0.3477 0.4073 0.056 Uiso 1 1 calc R U . . .
H15C H 0.4048 0.4344 0.3655 0.056 Uiso 1 1 calc R U . . .
C16 C 0.4796(2) 0.2798(3) 0.30647(14) 0.0253(8) Uani 0.555(5) 1 d . . P . .
H16A H 0.5065 0.2418 0.2824 0.038 Uiso 0.555(5) 1 calc R U P . .
H16B H 0.4383 0.3274 0.2853 0.038 Uiso 0.555(5) 1 calc R U P . .
H16C H 0.4459 0.2378 0.3249 0.038 Uiso 0.555(5) 1 calc R U P . .
C17 C 0.68603(15) 0.25215(15) 0.31636(9) 0.0328(5) Uani 1 1 d . . . . .
H17A H 0.6393 0.2147 0.2913 0.049 Uiso 1 1 calc R U . . .
H17B H 0.7305 0.2088 0.3389 0.049 Uiso 1 1 calc R U . . .
H17C H 0.7166 0.2941 0.2959 0.049 Uiso 1 1 calc R U . . .
C18 C 0.78619(17) 0.34678(17) 0.43045(9) 0.0389(5) Uani 1 1 d . . . . .
H18A H 0.8201 0.3202 0.4061 0.058 Uiso 1 1 calc R U . . .
H18B H 0.7916 0.3039 0.4613 0.058 Uiso 1 1 calc R U . . .
H18C H 0.8110 0.4096 0.4432 0.058 Uiso 1 1 calc R U . . .
C19 C 0.6282(3) 0.4242(3) 0.47890(16) 0.0245(10) Uani 0.445(5) 1 d . . P . .
H19A H 0.6781 0.4698 0.4908 0.037 Uiso 0.445(5) 1 calc R U P . .
H19B H 0.6406 0.3668 0.5015 0.037 Uiso 0.445(5) 1 calc R U P . .
H19C H 0.5714 0.4534 0.4821 0.037 Uiso 0.445(5) 1 calc R U P . .
C20 C 0.83619(15) 0.47379(18) 0.32860(9) 0.0356(5) Uani 1 1 d . . . . .
H20A H 0.8473 0.4073 0.3419 0.043 Uiso 1 1 calc R U . . .
H20B H 0.8483 0.5175 0.3600 0.043 Uiso 1 1 calc R U . . .
C21 C 0.89579(15) 0.49854(18) 0.29137(10) 0.0402(5) Uani 1 1 d . . . . .
H21A H 0.9556 0.4667 0.3028 0.048 Uiso 1 1 calc R U . . .
H21B H 0.9047 0.5684 0.2896 0.048 Uiso 1 1 calc R U . . .
C22 C 0.83982(15) 0.45931(19) 0.23771(9) 0.0398(5) Uani 1 1 d . . . . .
H22A H 0.8559 0.4911 0.2069 0.048 Uiso 1 1 calc R U . . .
H22B H 0.8483 0.3895 0.2352 0.048 Uiso 1 1 calc R U . . .
C23 C 0.74336(14) 0.48307(16) 0.23927(8) 0.0302(4) Uani 1 1 d . . . . .
H23A H 0.7250 0.5460 0.2224 0.036 Uiso 1 1 calc R U . . .
H23B H 0.7007 0.4340 0.2197 0.036 Uiso 1 1 calc R U . . .
C24 C 0.9384(3) 0.5311(4) 0.57699(19) 0.0313(12) Uani 0.580(9) 1 d . . P A 1
H24A H 0.9972 0.5524 0.5763 0.038 Uiso 0.580(9) 1 calc R U P A 1
C25 C 0.8789(11) 0.6005(10) 0.5875(6) 0.034(3) Uani 0.580(9) 1 d . . P A 1
H25A H 0.8975 0.6653 0.5925 0.041 Uiso 0.580(9) 1 calc R U P A 1
C26 C 0.7929(5) 0.5743(3) 0.59050(17) 0.0369(13) Uani 0.580(9) 1 d . . P A 1
H26A H 0.7525 0.6211 0.5978 0.044 Uiso 0.580(9) 1 calc R U P A 1
C27 C 0.7654(4) 0.4800(3) 0.5828(2) 0.0378(12) Uani 0.580(9) 1 d . . P A 1
H27A H 0.7056 0.4597 0.5819 0.045 Uiso 0.580(9) 1 calc R U P A 1
C24B C 0.9736(5) 0.5094(4) 0.5594(3) 0.0340(16) Uani 0.420(9) 1 d . . P A 2
H24B H 1.0255 0.5071 0.5453 0.041 Uiso 0.420(9) 1 calc R U P A 2
C25B C 0.9366(7) 0.5917(5) 0.5764(3) 0.046(2) Uani 0.420(9) 1 d . . P A 2
H25B H 0.9658 0.6515 0.5757 0.055 Uiso 0.420(9) 1 calc R U P A 2
C26B C 0.8589(16) 0.5874(12) 0.5940(8) 0.043(5) Uani 0.420(9) 1 d . . P A 2
H26B H 0.8348 0.6442 0.6052 0.051 Uiso 0.420(9) 1 calc R U P A 2
C27B C 0.8157(6) 0.5020(5) 0.5954(2) 0.0416(19) Uani 0.420(9) 1 d . . P A 2
H27B H 0.7658 0.5029 0.6113 0.050 Uiso 0.420(9) 1 calc R U P A 2
C28 C 0.8367(2) 0.41379(18) 0.57623(10) 0.0495(7) Uani 1 1 d . . . . .
C29 C 0.91947(18) 0.42934(17) 0.56692(10) 0.0462(7) Uani 1 1 d . . . . .
C30 C 0.97376(18) 0.3484(2) 0.55374(14) 0.0687(10) Uani 1 1 d . . . . .
H30A H 0.9344 0.2927 0.5430 0.103 Uiso 1 1 calc R U . . .
H30B H 1.0226 0.3324 0.5855 0.103 Uiso 1 1 calc R U . . .
H30C H 0.9999 0.3670 0.5240 0.103 Uiso 1 1 calc R U . . .
H28 H 0.812(2) 0.348(2) 0.5749(12) 0.068(9) Uiso 1 1 d . . . . .
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'
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
Cnt1 Gd1 O1 103.9 . .
Cnt1 Gd1 N1 103.3 . .
Cnt1 Gd1 N1 108.7 . 2_655
Cnt2 Gd1 O1 102.3 . .
Cnt2 Gd1 N1 104.6 . .
Cnt2 Gd1 N1 116.2 . 2_655
Cnt1 Gd1 Cnt2 130.1 . .
N1 Gd1 N1 30.25(7) . 2_655
N1 Gd1 O1 112.65(5) . .
N1 Gd1 O1 82.61(5) 2_655 .
N1 Gd1 C10 89.00(6) . .
N1 Gd1 C10 111.56(6) 2_655 .
O1 Gd1 C10 128.90(5) . .
N1 Gd1 C5 82.92(5) . .
N1 Gd1 C5 82.57(5) 2_655 .
O1 Gd1 C5 96.84(5) . .
C10 Gd1 C5 132.62(6) . .
N1 Gd1 C11 79.24(6) . .
N1 Gd1 C11 90.57(5) 2_655 .
O1 Gd1 C11 106.14(5) . .
C10 Gd1 C11 30.59(6) . .
C5 Gd1 C11 154.99(6) . .
N1 Gd1 C1 80.58(5) . .
N1 Gd1 C1 95.35(6) 2_655 .
O1 Gd1 C1 126.07(5) . .
C10 Gd1 C1 102.07(6) . .
C5 Gd1 C1 30.56(6) . .
C11 Gd1 C1 127.79(6) . .
N1 Gd1 C4 111.81(5) . .
N1 Gd1 C4 103.08(5) 2_655 .
O1 Gd1 C4 77.80(5) . .
C10 Gd1 C4 137.77(6) . .
C5 Gd1 C4 30.22(6) . .
C11 Gd1 C4 166.23(6) . .
C1 Gd1 C4 50.03(6) . .
N1 Gd1 C14 119.01(6) . .
N1 Gd1 C14 139.42(6) 2_655 .
O1 Gd1 C14 111.65(5) . .
C10 Gd1 C14 30.03(7) . .
C5 Gd1 C14 129.83(6) . .
C11 Gd1 C14 49.41(6) . .
C1 Gd1 C14 104.30(6) . .
C4 Gd1 C14 116.83(6) . .
N1 Gd1 C2 107.68(6) . .
N1 Gd1 C2 125.22(5) 2_655 .
O1 Gd1 C2 122.45(5) . .
C10 Gd1 C2 89.98(6) . .
C5 Gd1 C2 49.61(6) . .
C11 Gd1 C2 120.55(6) . .
C1 Gd1 C2 29.88(6) . .
C4 Gd1 C2 49.44(5) . .
C14 Gd1 C2 80.23(6) . .
N1 Gd1 C3 129.16(5) . .
N1 Gd1 C3 131.25(5) 2_655 .
O1 Gd1 C3 92.78(5) . .
C10 Gd1 C3 108.76(6) . .
C5 Gd1 C3 49.67(6) . .
C11 Gd1 C3 136.44(6) . .
C1 Gd1 C3 49.69(6) . .
C4 Gd1 C3 29.95(5) . .
C14 Gd1 C3 87.27(6) . .
C2 Gd1 C3 29.90(6) . .
N1 Gd1 C12 102.20(6) . .
N1 Gd1 C12 100.98(5) 2_655 .
O1 Gd1 C12 79.71(5) . .
C10 Gd1 C12 49.92(6) . .
C5 Gd1 C12 174.61(6) . .
C11 Gd1 C12 29.92(6) . .
C1 Gd1 C12 151.30(6) . .
C4 Gd1 C12 144.39(6) . .
C14 Gd1 C12 49.05(6) . .
C2 Gd1 C12 129.02(6) . .
C3 Gd1 C12 126.00(6) . .
N1 Gd1 C13 128.29(6) . .
N1 Gd1 C13 130.29(5) 2_655 .
O1 Gd1 C13 82.98(5) . .
C10 Gd1 C13 49.70(6) . .
C5 Gd1 C13 146.40(6) . .
C11 Gd1 C13 49.19(6) . .
C1 Gd1 C13 130.80(6) . .
C4 Gd1 C13 119.73(6) . .
C14 Gd1 C13 29.80(6) . .
C2 Gd1 C13 102.48(6) . .
C3 Gd1 C13 96.73(6) . .
C12 Gd1 C13 29.49(6) . .
C20 O1 C23 108.99(15) . .
C20 O1 Gd1 125.61(11) . .
C23 O1 Gd1 125.39(11) . .
N1 N1 Gd1 76.45(14) 2_655 .
N1 N1 Gd1 73.31(13) 2_655 2_655
Gd1 N1 Gd1 149.66(7) . 2_655
C2 C1 C5 107.60(17) . .
C2 C1 C6 126.4(2) . .
C5 C1 C6 125.7(2) . .
C2 C1 Gd1 76.81(10) . .
C5 C1 Gd1 74.13(10) . .
C6 C1 Gd1 119.63(13) . .
C1 C2 C3 108.54(17) . .
C1 C2 C7 125.2(2) . .
C3 C2 C7 125.1(2) . .
C1 C2 Gd1 73.30(10) . .
C3 C2 Gd1 75.36(10) . .
C7 C2 Gd1 127.13(13) . .
C4 C3 C2 107.68(17) . .
C4 C3 C8 125.97(18) . .
C2 C3 C8 125.97(17) . .
C4 C3 Gd1 74.02(10) . .
C2 C3 Gd1 74.74(10) . .
C8 C3 Gd1 122.65(12) . .
C5 C4 C3 107.82(17) . .
C5 C4 C9 125.08(17) . .
C3 C4 C9 126.77(18) . .
C5 C4 Gd1 73.24(10) . .
C3 C4 Gd1 76.03(10) . .
C9 C4 Gd1 121.81(12) . .
C4 C5 C1 108.36(17) . .
C4 C5 Gd1 76.54(10) . .
C1 C5 Gd1 75.32(10) . .
C14 C10 C11 107.22(18) . .
C14 C10 C15 126.84(18) . .
C11 C10 C15 125.7(2) . .
C14 C10 Gd1 77.30(11) . .
C11 C10 Gd1 75.51(10) . .
C15 C10 Gd1 117.56(13) . .
C16 C11 C12 125.8(2) . .
C16 C11 C10 124.6(2) . .
C12 C11 C10 108.56(18) . .
C16 C11 Gd1 123.92(19) . .
C12 C11 Gd1 77.57(11) . .
C10 C11 Gd1 73.90(11) . .
C11 C12 C13 107.93(17) . .
C11 C12 C17 125.77(19) . .
C13 C12 C17 126.10(19) . .
C11 C12 Gd1 72.50(10) . .
C13 C12 Gd1 76.10(10) . .
C17 C12 Gd1 121.34(13) . .
C12 C13 C14 107.41(19) . .
C12 C13 C18 127.12(18) . .
C14 C13 C18 124.30(18) . .
C12 C13 Gd1 74.41(11) . .
C14 C13 Gd1 73.22(11) . .
C18 C13 Gd1 127.63(14) . .
C10 C14 C13 108.88(18) . .
C10 C14 C19 120.0(2) . .
C13 C14 C19 127.9(2) . .
C10 C14 Gd1 72.67(10) . .
C13 C14 Gd1 76.98(11) . .
C19 C14 Gd1 132.7(2) . .
O1 C20 C21 105.43(17) . .
C20 C21 C22 101.42(19) . .
C23 C22 C21 102.75(17) . .
O1 C23 C22 105.95(16) . .
C25 C24 C29 126.9(6) . .
C26 C25 C24 119.8(10) . .
C25 C26 C27 120.1(8) . .
C26 C27 C28 114.3(4) . .
C25B C24B C29 108.1(6) . .
C26B C25B C24B 121.1(9) . .
C27B C26B C25B 120.6(14) . .
C26B C27B C28 127.4(10) . .
C29 C28 C27B 103.1(5) . .
C29 C28 C27 131.7(3) . .
C28 C29 C24B 137.7(4) . .
C28 C29 C24 105.9(3) . .
C28 C29 C30 120.8(2) . .
C24B C29 C30 101.0(4) . .
C24 C29 C30 133.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 Cnt1 2.448 .
Gd1 Cnt2 2.459 .
Gd1 N1 2.3703(16) .
Gd1 N1 2.4057(15) 2_655
Gd1 O1 2.4870(13) .
Gd1 C10 2.6840(19) .
Gd1 C5 2.6917(18) .
Gd1 C11 2.7048(18) .
Gd1 C1 2.7070(18) .
Gd1 C4 2.7338(18) .
Gd1 C14 2.7428(19) .
Gd1 C2 2.7516(18) .
Gd1 C3 2.7596(18) .
Gd1 C12 2.7695(18) .
Gd1 C13 2.7910(18) .
O1 C20 1.453(2) .
O1 C23 1.456(2) .
N1 N1 1.247(3) 2_655
N1 Gd1 2.4057(15) 2_655
C1 C2 1.408(3) .
C1 C5 1.423(3) .
C1 C6 1.503(3) .
C2 C3 1.422(3) .
C2 C7 1.512(3) .
C3 C4 1.419(3) .
C3 C8 1.507(3) .
C4 C5 1.415(3) .
C4 C9 1.501(3) .
C10 C14 1.407(3) .
C10 C11 1.421(3) .
C10 C15 1.508(3) .
C11 C16 1.391(4) .
C11 C12 1.415(3) .
C12 C13 1.416(3) .
C12 C17 1.511(3) .
C13 C14 1.424(3) .
C13 C18 1.507(3) .
C14 C19 1.445(4) .
C20 C21 1.516(3) .
C21 C22 1.524(3) .
C22 C23 1.518(3) .
C24 C25 1.401(17) .
C24 C29 1.463(5) .
C25 C26 1.382(13) .
C26 C27 1.383(6) .
C27 C28 1.470(6) .
C24B C25B 1.399(10) .
C24B C29 1.433(6) .
C25B C26B 1.373(19) .
C26B C27B 1.369(17) .
C27B C28 1.396(7) .
C28 C29 1.360(4) .
C29 C30 1.491(4) .
