#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:29:59 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179063 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/25/4302500.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_4302500
loop_
_publ_author_name
'Elena Chelebaeva'
'Joulia Larionova'
'Yannick Guari'
'Rute A. S. Ferreira'
'Luis D. Carlos'
'Filipe A. Almeida Paz'
'Alexander Trifonov'
'Christian Guérin'
_publ_contact_author_address
; Institut Charles Gerhardt Montpellier
  UMR 5253
  CNRS-UM2-ENSCM-UM1
  Chimie Moleculaire et Organisation du Solide
  Universite Montpellier II
  Place E. Bataillon
  34095 Montpellier cedex 5
  France
;
_publ_contact_author_email       joulia@univ-montp2.fr
_publ_contact_author_name        'Professor Joulia Larionova'
_publ_section_title
;
Luminescent and Magnetic Cyano-Bridged Coordination Polymers Containing
4d-4f Ions: Toward Multifunctional Materials
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5983
_journal_page_last               5995
_journal_paper_doi               10.1021/ic900378d
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C8 H10 Gd N8 O5 W'
_chemical_formula_sum            'C8 H10 Gd N8 O5 W'
_chemical_formula_weight         639.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.9500(16)
_cell_length_b                   10.9500(16)
_cell_length_c                   7.167(3)
_cell_measurement_reflns_used    3462
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      36.08
_cell_measurement_theta_min      2.63
_cell_volume                     859.3(4)
_computing_cell_refinement       'APEX2 '
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT+ (Bruker, 1997-2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXTL '
_computing_structure_refinement  'SHELXTL '
_computing_structure_solution    'SHELXTL (Bruker 2001)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'omega/phi 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  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6452
_diffrn_reflns_theta_full        29.02
_diffrn_reflns_theta_max         29.02
_diffrn_reflns_theta_min         3.72
_exptl_absorpt_coefficient_mu    10.546
_exptl_absorpt_correction_T_max  0.4186
_exptl_absorpt_correction_T_min  0.2832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 1997)
;
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    2.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.761
_refine_diff_density_min         -3.697
_refine_diff_density_rms         0.359
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.293
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     52
_refine_ls_number_reflns         647
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.293
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0532P)²+0.2920P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0950
_reflns_number_gt                597
_reflns_number_total             647
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic900378d_si_001_6.cif
_cod_data_source_block           VI-GdWCN8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        859.4(4)
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               4302500
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z'
'-y, -x, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
'-y-1/2, -x-1/2, z'
'y, x, 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 0.2500 0.2500 0.75781(9) 0.0087(2) Uani 1 8 d S . .
W1 W 0.2500 0.7500 0.5000 0.0084(2) Uani 1 8 d S . .
O1W O 0.2500 0.2500 0.401(2) 0.031(3) Uani 1 8 d S . .
O2W O 0.1399(11) 0.3601(11) 1.001(2) 0.028(4) Uiso 0.40 2 d SP . .
O3W O 0.1328(10) 0.4008(12) 0.9360(18) 0.022(3) Uiso 0.30 1 d P . .
N1 N 0.2790(8) 0.4639(8) 0.6376(14) 0.027(3) Uani 0.50 1 d P . .
C1 C 0.2754(8) 0.5643(9) 0.5896(14) 0.014(3) Uani 0.50 1 d P . .
N2 N 0.2022(9) 0.9297(9) 0.1378(14) 0.028(2) Uani 0.50 1 d P . .
C2 C 0.2231(7) 0.8680(8) 0.2613(14) 0.017(3) Uani 0.50 1 d P . .
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'
W W -0.8490 6.8722 '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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
O2W Gd1 O2W 59.2(5) 4 2 ?
O2W Gd1 O2W 59.2(5) 4 . ?
O2W Gd1 O2W 88.7(8) 2 . ?
O2W Gd1 O2W 88.7(8) 4 3 ?
O2W Gd1 O2W 59.2(5) 2 3 ?
O2W Gd1 O2W 59.2(5) . 3 ?
O2W Gd1 O3W 15.3(4) 4 14_655 ?
O2W Gd1 O3W 72.6(5) 2 14_655 ?
O2W Gd1 O3W 63.5(3) . 14_655 ?
O2W Gd1 O3W 102.7(6) 3 14_655 ?
O2W Gd1 O3W 15.3(4) 4 4 ?
O2W Gd1 O3W 63.5(3) 2 4 ?
O2W Gd1 O3W 72.6(5) . 4 ?
O2W Gd1 O3W 102.7(6) 3 4 ?
O3W Gd1 O3W 12.2(6) 14_655 4 ?
O2W Gd1 O3W 63.5(3) 4 . ?
O2W Gd1 O3W 102.7(6) 2 . ?
O2W Gd1 O3W 15.3(4) . . ?
O2W Gd1 O3W 72.6(5) 3 . ?
O3W Gd1 O3W 63.2(5) 14_655 . ?
O3W Gd1 O3W 74.2(3) 4 . ?
O2W Gd1 O3W 102.7(6) 4 13_565 ?
O2W Gd1 O3W 63.5(3) 2 13_565 ?
O2W Gd1 O3W 72.6(5) . 13_565 ?
O2W Gd1 O3W 15.3(4) 3 13_565 ?
O3W Gd1 O3W 117.2(6) 14_655 13_565 ?
O3W Gd1 O3W 115.7(6) 4 13_565 ?
O3W Gd1 O3W 84.7(7) . 13_565 ?
O2W Gd1 O3W 63.5(3) 4 16 ?
O2W Gd1 O3W 15.3(4) 2 16 ?
O2W Gd1 O3W 102.7(6) . 16 ?
O2W Gd1 O3W 72.6(5) 3 16 ?
O3W Gd1 O3W 74.2(3) 14_655 16 ?
O3W Gd1 O3W 63.2(5) 4 16 ?
O3W Gd1 O3W 115.7(6) . 16 ?
O3W Gd1 O3W 74.2(3) 13_565 16 ?
O2W Gd1 O3W 102.7(6) 4 3 ?
O2W Gd1 O3W 72.6(5) 2 3 ?
O2W Gd1 O3W 63.5(3) . 3 ?
O2W Gd1 O3W 15.3(4) 3 3 ?
O3W Gd1 O3W 115.7(6) 14_655 3 ?
O3W Gd1 O3W 117.2(6) 4 3 ?
O3W Gd1 O3W 74.2(3) . 3 ?
O3W Gd1 O3W 12.2(6) 13_565 3 ?
O3W Gd1 O3W 84.7(7) 16 3 ?
O2W Gd1 O3W 72.6(5) 4 2 ?
O2W Gd1 O3W 15.3(4) 2 2 ?
O2W Gd1 O3W 102.7(6) . 2 ?
O2W Gd1 O3W 63.5(3) 3 2 ?
O3W Gd1 O3W 84.7(6) 14_655 2 ?
O3W Gd1 O3W 74.2(3) 4 2 ?
O3W Gd1 O3W 117.2(6) . 2 ?
O3W Gd1 O3W 63.2(5) 13_565 2 ?
O3W Gd1 O3W 12.2(6) 16 2 ?
O3W Gd1 O3W 74.2(3) 3 2 ?
O2W Gd1 O3W 72.6(5) 4 15_665 ?
O2W Gd1 O3W 102.7(6) 2 15_665 ?
O2W Gd1 O3W 15.3(4) . 15_665 ?
O2W Gd1 O3W 63.5(3) 3 15_665 ?
O3W Gd1 O3W 74.2(3) 14_655 15_665 ?
O3W Gd1 O3W 84.7(6) 4 15_665 ?
O3W Gd1 O3W 12.2(6) . 15_665 ?
O3W Gd1 O3W 74.2(3) 13_565 15_665 ?
O3W Gd1 O3W 117.2(6) 16 15_665 ?
O3W Gd1 O3W 63.2(5) 3 15_665 ?
O3W Gd1 O3W 115.7(6) 2 15_665 ?
O2W Gd1 N1 140.1(3) 4 2 ?
O2W Gd1 N1 81.2(4) 2 2 ?
O2W Gd1 N1 130.0(2) . 2 ?
O2W Gd1 N1 73.9(4) 3 2 ?
O3W Gd1 N1 150.7(4) 14_655 2 ?
O3W Gd1 N1 138.7(3) 4 2 ?
O3W Gd1 N1 137.7(4) . 2 ?
O3W Gd1 N1 59.0(4) 13_565 2 ?
O3W Gd1 N1 77.1(3) 16 2 ?
O3W Gd1 N1 66.8(3) 3 2 ?
O3W Gd1 N1 67.5(4) 2 2 ?
O3W Gd1 N1 125.5(4) 15_665 2 ?
O2W Gd1 N1 140.1(3) 4 15_665 ?
O2W Gd1 N1 130.0(2) 2 15_665 ?
O2W Gd1 N1 81.2(4) . 15_665 ?
O2W Gd1 N1 73.9(4) 3 15_665 ?
O3W Gd1 N1 138.7(3) 14_655 15_665 ?
O3W Gd1 N1 150.7(4) 4 15_665 ?
O3W Gd1 N1 77.1(3) . 15_665 ?
O3W Gd1 N1 66.8(3) 13_565 15_665 ?
O3W Gd1 N1 137.7(4) 16 15_665 ?
O3W Gd1 N1 59.0(4) 3 15_665 ?
O3W Gd1 N1 125.5(4) 2 15_665 ?
O3W Gd1 N1 67.5(4) 15_665 15_665 ?
N1 Gd1 N1 69.4(4) 2 15_665 ?
O2W Gd1 N1 130.0(2) 4 13_565 ?
O2W Gd1 N1 73.9(4) 2 13_565 ?
O2W Gd1 N1 140.1(3) . 13_565 ?
O2W Gd1 N1 81.2(4) 3 13_565 ?
O3W Gd1 N1 137.7(4) 14_655 13_565 ?
O3W Gd1 N1 125.5(4) 4 13_565 ?
O3W Gd1 N1 150.7(4) . 13_565 ?
O3W Gd1 N1 67.5(4) 13_565 13_565 ?
O3W Gd1 N1 66.8(3) 16 13_565 ?
O3W Gd1 N1 77.1(3) 3 13_565 ?
O3W Gd1 N1 59.0(4) 2 13_565 ?
O3W Gd1 N1 138.7(4) 15_665 13_565 ?
N1 Gd1 N1 14.5(4) 2 13_565 ?
N1 Gd1 N1 83.26(15) 15_665 13_565 ?
O2W Gd1 N1 130.0(2) 4 3 ?
O2W Gd1 N1 140.1(3) 2 3 ?
O2W Gd1 N1 73.9(4) . 3 ?
O2W Gd1 N1 81.2(4) 3 3 ?
O3W Gd1 N1 125.5(4) 14_655 3 ?
O3W Gd1 N1 137.7(4) 4 3 ?
O3W Gd1 N1 66.8(3) . 3 ?
O3W Gd1 N1 77.1(3) 13_565 3 ?
O3W Gd1 N1 150.7(4) 16 3 ?
O3W Gd1 N1 67.5(4) 3 3 ?
O3W Gd1 N1 138.7(4) 2 3 ?
O3W Gd1 N1 59.0(4) 15_665 3 ?
N1 Gd1 N1 83.26(15) 2 3 ?
N1 Gd1 N1 14.5(4) 15_665 3 ?
N1 Gd1 N1 96.8(4) 13_565 3 ?
O2W Gd1 N1 73.9(4) 4 . ?
O2W Gd1 N1 130.0(2) 2 . ?
O2W Gd1 N1 81.2(4) . . ?
O2W Gd1 N1 140.1(3) 3 . ?
O3W Gd1 N1 59.0(4) 14_655 . ?
O3W Gd1 N1 66.8(3) 4 . ?
O3W Gd1 N1 67.5(4) . . ?
O3W Gd1 N1 150.7(4) 13_565 . ?
O3W Gd1 N1 125.5(4) 16 . ?
O3W Gd1 N1 138.7(3) 3 . ?
O3W Gd1 N1 137.7(4) 2 . ?
O3W Gd1 N1 77.1(3) 15_665 . ?
N1 Gd1 N1 139.9(5) 2 . ?
N1 Gd1 N1 96.8(4) 15_665 . ?
N1 Gd1 N1 137.2(5) 13_565 . ?
N1 Gd1 N1 83.26(15) 3 . ?
O2W Gd1 N1 73.9(4) 4 16 ?
O2W Gd1 N1 81.2(4) 2 16 ?
O2W Gd1 N1 130.0(2) . 16 ?
O2W Gd1 N1 140.1(3) 3 16 ?
O3W Gd1 N1 66.8(3) 14_655 16 ?
O3W Gd1 N1 59.0(4) 4 16 ?
O3W Gd1 N1 125.5(4) . 16 ?
O3W Gd1 N1 138.7(3) 13_565 16 ?
O3W Gd1 N1 67.5(4) 16 16 ?
O3W Gd1 N1 150.7(4) 3 16 ?
O3W Gd1 N1 77.1(3) 2 16 ?
O3W Gd1 N1 137.7(4) 15_665 16 ?
N1 Gd1 N1 96.8(4) 2 16 ?
N1 Gd1 N1 139.9(5) 15_665 16 ?
N1 Gd1 N1 83.26(15) 13_565 16 ?
N1 Gd1 N1 137.2(5) 3 16 ?
N1 Gd1 N1 69.4(4) . 16 ?
O2W Gd1 N1 81.2(4) 4 14_655 ?
O2W Gd1 N1 140.1(3) 2 14_655 ?
O2W Gd1 N1 73.9(4) . 14_655 ?
O2W Gd1 N1 130.0(2) 3 14_655 ?
O3W Gd1 N1 67.5(4) 14_655 14_655 ?
O3W Gd1 N1 77.1(3) 4 14_655 ?
O3W Gd1 N1 59.0(4) . 14_655 ?
O3W Gd1 N1 137.7(4) 13_565 14_655 ?
O3W Gd1 N1 138.7(4) 16 14_655 ?
O3W Gd1 N1 125.5(4) 3 14_655 ?
O3W Gd1 N1 150.7(4) 2 14_655 ?
O3W Gd1 N1 66.8(3) 15_665 14_655 ?
N1 Gd1 N1 137.2(5) 2 14_655 ?
N1 Gd1 N1 83.26(15) 15_665 14_655 ?
N1 Gd1 N1 139.9(5) 13_565 14_655 ?
N1 Gd1 N1 69.4(4) 3 14_655 ?
N1 Gd1 N1 14.5(4) . 14_655 ?
N1 Gd1 N1 83.26(15) 16 14_655 ?
O2W Gd1 N1 81.2(4) 4 4 ?
O2W Gd1 N1 73.9(4) 2 4 ?
O2W Gd1 N1 140.1(3) . 4 ?
O2W Gd1 N1 130.0(2) 3 4 ?
O3W Gd1 N1 77.1(3) 14_655 4 ?
O3W Gd1 N1 67.5(4) 4 4 ?
O3W Gd1 N1 138.7(4) . 4 ?
O3W Gd1 N1 125.5(4) 13_565 4 ?
O3W Gd1 N1 59.0(4) 16 4 ?
O3W Gd1 N1 137.7(4) 3 4 ?
O3W Gd1 N1 66.8(3) 2 4 ?
O3W Gd1 N1 150.7(4) 15_665 4 ?
N1 Gd1 N1 83.26(15) 2 4 ?
N1 Gd1 N1 137.2(5) 15_665 4 ?
N1 Gd1 N1 69.4(4) 13_565 4 ?
N1 Gd1 N1 139.9(5) 3 4 ?
N1 Gd1 N1 83.26(15) . 4 ?
N1 Gd1 N1 14.5(4) 16 4 ?
N1 Gd1 N1 96.8(4) 14_655 4 ?
O2W Gd1 O1W 135.7(4) 4 . ?
O2W Gd1 O1W 135.7(4) 2 . ?
O2W Gd1 O1W 135.7(4) . . ?
O2W Gd1 O1W 135.7(4) 3 . ?
O3W Gd1 O1W 121.4(3) 14_655 . ?
O3W Gd1 O1W 121.4(3) 4 . ?
O3W Gd1 O1W 121.4(3) . . ?
O3W Gd1 O1W 121.4(3) 13_565 . ?
O3W Gd1 O1W 121.4(3) 16 . ?
O3W Gd1 O1W 121.4(3) 3 . ?
O3W Gd1 O1W 121.4(3) 2 . ?
O3W Gd1 O1W 121.4(3) 15_665 . ?
N1 Gd1 O1W 70.0(2) 2 . ?
N1 Gd1 O1W 70.0(2) 15_665 . ?
N1 Gd1 O1W 70.0(2) 13_565 . ?
N1 Gd1 O1W 70.0(2) 3 . ?
N1 Gd1 O1W 70.0(2) . . ?
N1 Gd1 O1W 70.0(2) 16 . ?
N1 Gd1 O1W 70.0(2) 14_655 . ?
N1 Gd1 O1W 70.0(2) 4 . ?
C1 W1 C1 109.5(5) 13_575 11_566 ?
C1 W1 C1 95.12(16) 13_575 7_456 ?
C1 W1 C1 14.9(4) 11_566 7_456 ?
C1 W1 C1 14.9(5) 13_575 2_565 ?
C1 W1 C1 95.12(16) 11_566 2_565 ?
C1 W1 C1 81.1(5) 7_456 2_565 ?
C1 W1 C1 145.3(6) 13_575 14_655 ?
C1 W1 C1 81.1(5) 11_566 14_655 ?
C1 W1 C1 95.12(16) 7_456 14_655 ?
C1 W1 C1 142.0(5) 2_565 14_655 ?
C1 W1 C1 81.1(5) 13_575 12_666 ?
C1 W1 C1 145.3(6) 11_566 12_666 ?
C1 W1 C1 142.0(5) 7_456 12_666 ?
C1 W1 C1 95.12(16) 2_565 12_666 ?
C1 W1 C1 109.5(5) 14_655 12_666 ?
C1 W1 C1 95.12(16) 13_575 8_666 ?
C1 W1 C1 142.0(5) 11_566 8_666 ?
C1 W1 C1 145.3(6) 7_456 8_666 ?
C1 W1 C1 109.5(5) 2_565 8_666 ?
C1 W1 C1 95.12(16) 14_655 8_666 ?
C1 W1 C1 14.9(4) 12_666 8_666 ?
C1 W1 C1 142.0(5) 13_575 . ?
C1 W1 C1 95.12(16) 11_566 . ?
C1 W1 C1 109.5(5) 7_456 . ?
C1 W1 C1 145.3(6) 2_565 . ?
C1 W1 C1 14.9(5) 14_655 . ?
C1 W1 C1 95.12(16) 12_666 . ?
C1 W1 C1 81.1(5) 8_666 . ?
C1 W1 C2 144.9(4) 13_575 13_575 ?
C1 W1 C2 63.8(3) 11_566 13_575 ?
C1 W1 C2 73.3(3) 7_456 13_575 ?
C1 W1 C2 141.5(4) 2_565 13_575 ?
C1 W1 C2 69.8(4) 14_655 13_575 ?
C1 W1 C2 88.3(3) 12_666 13_575 ?
C1 W1 C2 79.4(3) 8_666 13_575 ?
C1 W1 C2 71.9(4) . 13_575 ?
C1 W1 C2 63.8(3) 13_575 11_566 ?
C1 W1 C2 144.9(4) 11_566 11_566 ?
C1 W1 C2 141.5(4) 7_456 11_566 ?
C1 W1 C2 73.3(3) 2_565 11_566 ?
C1 W1 C2 88.3(3) 14_655 11_566 ?
C1 W1 C2 69.8(4) 12_666 11_566 ?
C1 W1 C2 71.9(4) 8_666 11_566 ?
C1 W1 C2 79.4(3) . 11_566 ?
C2 W1 C2 141.9(5) 13_575 11_566 ?
C1 W1 C2 141.5(4) 13_575 2_565 ?
C1 W1 C2 79.4(3) 11_566 2_565 ?
C1 W1 C2 88.3(3) 7_456 2_565 ?
C1 W1 C2 144.9(4) 2_565 2_565 ?
C1 W1 C2 71.9(4) 14_655 2_565 ?
C1 W1 C2 73.3(3) 12_666 2_565 ?
C1 W1 C2 63.8(3) 8_666 2_565 ?
C1 W1 C2 69.8(4) . 2_565 ?
C2 W1 C2 15.6(4) 13_575 2_565 ?
C2 W1 C2 128.7(3) 11_566 2_565 ?
C1 W1 C2 79.4(3) 13_575 7_456 ?
C1 W1 C2 141.5(4) 11_566 7_456 ?
C1 W1 C2 144.9(4) 7_456 7_456 ?
C1 W1 C2 88.3(3) 2_565 7_456 ?
C1 W1 C2 73.3(3) 14_655 7_456 ?
C1 W1 C2 71.9(4) 12_666 7_456 ?
C1 W1 C2 69.8(4) 8_666 7_456 ?
C1 W1 C2 63.8(3) . 7_456 ?
C2 W1 C2 128.7(3) 13_575 7_456 ?
C2 W1 C2 15.6(4) 11_566 7_456 ?
C2 W1 C2 117.6(5) 2_565 7_456 ?
C1 W1 C2 71.9(4) 13_575 . ?
C1 W1 C2 73.3(3) 11_566 . ?
C1 W1 C2 63.8(3) 7_456 . ?
C1 W1 C2 69.8(4) 2_565 . ?
C1 W1 C2 141.5(4) 14_655 . ?
C1 W1 C2 79.4(3) 12_666 . ?
C1 W1 C2 88.3(3) 8_666 . ?
C1 W1 C2 144.9(4) . . ?
C2 W1 C2 73.3(5) 13_575 . ?
C2 W1 C2 128.7(3) 11_566 . ?
C2 W1 C2 75.5(5) 2_565 . ?
C2 W1 C2 141.9(5) 7_456 . ?
C1 W1 C2 69.8(4) 13_575 14_655 ?
C1 W1 C2 88.3(3) 11_566 14_655 ?
C1 W1 C2 79.4(3) 7_456 14_655 ?
C1 W1 C2 71.9(4) 2_565 14_655 ?
C1 W1 C2 144.9(4) 14_655 14_655 ?
C1 W1 C2 63.8(3) 12_666 14_655 ?
C1 W1 C2 73.3(3) 8_666 14_655 ?
C1 W1 C2 141.5(4) . 14_655 ?
C2 W1 C2 75.5(5) 13_575 14_655 ?
C2 W1 C2 117.6(5) 11_566 14_655 ?
C2 W1 C2 73.3(5) 2_565 14_655 ?
C2 W1 C2 128.7(3) 7_456 14_655 ?
C2 W1 C2 15.6(4) . 14_655 ?
C1 W1 C2 73.3(3) 13_575 8_666 ?
C1 W1 C2 71.9(4) 11_566 8_666 ?
C1 W1 C2 69.8(4) 7_456 8_666 ?
C1 W1 C2 63.8(3) 2_565 8_666 ?
C1 W1 C2 79.4(3) 14_655 8_666 ?
C1 W1 C2 141.5(4) 12_666 8_666 ?
C1 W1 C2 144.9(4) 8_666 8_666 ?
C1 W1 C2 88.3(3) . 8_666 ?
C2 W1 C2 128.7(3) 13_575 8_666 ?
C2 W1 C2 73.3(5) 11_566 8_666 ?
C2 W1 C2 141.9(5) 2_565 8_666 ?
C2 W1 C2 75.5(5) 7_456 8_666 ?
C2 W1 C2 117.6(5) . 8_666 ?
C2 W1 C2 128.7(3) 14_655 8_666 ?
C1 W1 C2 88.3(3) 13_575 12_666 ?
C1 W1 C2 69.8(4) 11_566 12_666 ?
C1 W1 C2 71.9(4) 7_456 12_666 ?
C1 W1 C2 79.4(3) 2_565 12_666 ?
C1 W1 C2 63.8(3) 14_655 12_666 ?
C1 W1 C2 144.9(4) 12_666 12_666 ?
C1 W1 C2 141.5(4) 8_666 12_666 ?
C1 W1 C2 73.3(3) . 12_666 ?
C2 W1 C2 117.6(5) 13_575 12_666 ?
C2 W1 C2 75.5(5) 11_566 12_666 ?
C2 W1 C2 128.7(3) 2_565 12_666 ?
C2 W1 C2 73.3(5) 7_456 12_666 ?
C2 W1 C2 128.7(3) . 12_666 ?
C2 W1 C2 141.9(5) 14_655 12_666 ?
C2 W1 C2 15.6(4) 8_666 12_666 ?
O3W O2W O3W 47(2) 15_665 . ?
O3W O2W Gd1 83.4(19) 15_665 . ?
O3W O2W Gd1 83.4(19) . . ?
O3W O3W O2W 66.5(12) 15_665 . ?
O3W O3W Gd1 83.9(3) 15_665 . ?
O2W O3W Gd1 81.3(19) . . ?
N1 N1 C1 88.0(6) 14_655 . ?
N1 N1 C1 62.6(6) 14_655 14_655 ?
C1 N1 C1 25.4(8) . 14_655 ?
N1 N1 Gd1 82.7(2) 14_655 . ?
C1 N1 Gd1 170.3(7) . . ?
C1 N1 Gd1 145.3(7) 14_655 . ?
C1 C1 N1 92.0(6) 14_655 . ?
C1 C1 N1 62.6(6) 14_655 14_655 ?
N1 C1 N1 29.3(8) . 14_655 ?
C1 C1 W1 82.6(2) 14_655 . ?
N1 C1 W1 174.6(7) . . ?
N1 C1 W1 145.2(7) 14_655 . ?
N2 N2 C2 78.3(6) 14_655 . ?
N2 N2 C2 53.7(5) 14_655 14_655 ?
C2 N2 C2 24.7(7) . 14_655 ?
C2 C2 N2 101.7(6) 14_655 . ?
C2 C2 N2 53.7(5) 14_655 14_655 ?
N2 C2 N2 48.0(10) . 14_655 ?
C2 C2 W1 82.2(2) 14_655 . ?
N2 C2 W1 176.1(8) . . ?
N2 C2 W1 135.9(6) 14_655 . ?
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 O2W 2.439(15) 4 ?
Gd1 O2W 2.439(15) 2 ?
Gd1 O2W 2.439(15) . ?
Gd1 O2W 2.439(15) 3 ?
Gd1 O3W 2.451(11) 14_655 ?
Gd1 O3W 2.451(11) 4 ?
Gd1 O3W 2.451(11) . ?
Gd1 O3W 2.451(11) 13_565 ?
Gd1 O3W 2.451(11) 16 ?
Gd1 O3W 2.451(11) 3 ?
Gd1 O3W 2.451(11) 2 ?
Gd1 O3W 2.451(11) 15_665 ?
Gd1 N1 2.516(9) 2 ?
Gd1 N1 2.516(9) 15_665 ?
Gd1 N1 2.516(9) 13_565 ?
Gd1 N1 2.516(9) 3 ?
Gd1 N1 2.516(9) . ?
Gd1 N1 2.516(9) 16 ?
Gd1 N1 2.516(9) 14_655 ?
Gd1 N1 2.516(9) 4 ?
Gd1 O1W 2.559(14) . ?
W1 C1 2.150(10) 13_575 ?
W1 C1 2.150(10) 11_566 ?
W1 C1 2.150(10) 7_456 ?
W1 C1 2.150(10) 2_565 ?
W1 C1 2.150(10) 14_655 ?
W1 C1 2.150(10) 12_666 ?
W1 C1 2.150(10) 8_666 ?
W1 C1 2.150(10) . ?
W1 C2 2.164(10) 13_575 ?
W1 C2 2.164(10) 11_566 ?
W1 C2 2.164(10) 2_565 ?
W1 C2 2.164(10) 7_456 ?
W1 C2 2.164(10) . ?
W1 C2 2.164(10) 14_655 ?
W1 C2 2.164(10) 8_666 ?
W1 C2 2.164(10) 12_666 ?
O2W O3W 0.650(15) 15_665 ?
O2W O3W 0.650(15) . ?
O3W O3W 0.52(3) 15_665 ?
N1 N1 0.636(17) 14_655 ?
N1 C1 1.152(13) . ?
N1 C1 1.297(13) 14_655 ?
C1 C1 0.556(17) 14_655 ?
C1 N1 1.297(13) 14_655 ?
N2 N2 1.05(2) 14_655 ?
N2 C2 1.137(13) . ?
N2 C2 1.382(13) 14_655 ?
C2 C2 0.588(15) 14_655 ?
C2 N2 1.382(13) 14_655 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2W Gd1 O2W O3W 149.3(11) 4 . . 15_665 ?
O2W Gd1 O2W O3W -156.3(12) 2 . . 15_665 ?
O2W Gd1 O2W O3W -101.9(14) 3 . . 15_665 ?
O3W Gd1 O2W O3W 132.5(12) 14_655 . . 15_665 ?
O3W Gd1 O2W O3W 141.2(15) 4 . . 15_665 ?
O3W Gd1 O2W O3W 47(2) . . . 15_665 ?
O3W Gd1 O2W O3W -93.8(10) 13_565 . . 15_665 ?
O3W Gd1 O2W O3W -162.5(10) 16 . . 15_665 ?
O3W Gd1 O2W O3W -85.1(14) 3 . . 15_665 ?
O3W Gd1 O2W O3W -150.1(15) 2 . . 15_665 ?
N1 Gd1 O2W O3W -78.9(15) 2 . . 15_665 ?
N1 Gd1 O2W O3W -25.5(12) 15_665 . . 15_665 ?
N1 Gd1 O2W O3W -93.7(16) 13_565 . . 15_665 ?
N1 Gd1 O2W O3W -12.6(12) 3 . . 15_665 ?
N1 Gd1 O2W O3W 72.9(13) . . . 15_665 ?
N1 Gd1 O2W O3W 126.3(11) 16 . . 15_665 ?
N1 Gd1 O2W O3W 60.0(13) 14_655 . . 15_665 ?
N1 Gd1 O2W O3W 141.1(11) 4 . . 15_665 ?
O1W Gd1 O2W O3W 23.7(12) . . . 15_665 ?
O2W Gd1 O2W O3W 101.9(13) 4 . . . ?
O2W Gd1 O2W O3W 156.3(12) 2 . . . ?
O2W Gd1 O2W O3W -149.3(11) 3 . . . ?
O3W Gd1 O2W O3W 85.1(14) 14_655 . . . ?
O3W Gd1 O2W O3W 93.8(10) 4 . . . ?
O3W Gd1 O2W O3W -141.2(15) 13_565 . . . ?
O3W Gd1 O2W O3W 150.1(15) 16 . . . ?
O3W Gd1 O2W O3W -132.5(12) 3 . . . ?
O3W Gd1 O2W O3W 162.5(10) 2 . . . ?
O3W Gd1 O2W O3W -47(2) 15_665 . . . ?
N1 Gd1 O2W O3W -126.3(11) 2 . . . ?
N1 Gd1 O2W O3W -72.9(13) 15_665 . . . ?
N1 Gd1 O2W O3W -141.1(11) 13_565 . . . ?
N1 Gd1 O2W O3W -60.0(13) 3 . . . ?
N1 Gd1 O2W O3W 25.5(12) . . . . ?
N1 Gd1 O2W O3W 78.9(15) 16 . . . ?
N1 Gd1 O2W O3W 12.6(12) 14_655 . . . ?
N1 Gd1 O2W O3W 93.7(16) 4 . . . ?
O1W Gd1 O2W O3W -23.7(12) . . . . ?
Gd1 O2W O3W O3W 87.1(8) . . . 15_665 ?
O3W O2W O3W Gd1 -87.1(8) 15_665 . . . ?
O2W Gd1 O3W O3W -137.1(4) 4 . . 15_665 ?
O2W Gd1 O3W O3W -91.37(11) 2 . . 15_665 ?
O2W Gd1 O3W O3W -67.0(12) . . . 15_665 ?
O2W Gd1 O3W O3W -39.7(4) 3 . . 15_665 ?
O3W Gd1 O3W O3W -154.2(2) 14_655 . . 15_665 ?
O3W Gd1 O3W O3W -148.7(3) 4 . . 15_665 ?
O3W Gd1 O3W O3W -30.1(2) 13_565 . . 15_665 ?
O3W Gd1 O3W O3W -99.8(5) 16 . . 15_665 ?
O3W Gd1 O3W O3W -23.8(3) 3 . . 15_665 ?
O3W Gd1 O3W O3W -86.27(17) 2 . . 15_665 ?
N1 Gd1 O3W O3W -0.6(4) 2 . . 15_665 ?
N1 Gd1 O3W O3W 37.3(3) 15_665 . . 15_665 ?
N1 Gd1 O3W O3W -11.8(7) 13_565 . . 15_665 ?
N1 Gd1 O3W O3W 48.1(3) 3 . . 15_665 ?
N1 Gd1 O3W O3W 140.3(2) . . . 15_665 ?
N1 Gd1 O3W O3W -179.5(4) 16 . . 15_665 ?
N1 Gd1 O3W O3W 127.1(3) 14_655 . . 15_665 ?
N1 Gd1 O3W O3W -171.3(5) 4 . . 15_665 ?
O1W Gd1 O3W O3W 93.73(17) . . . 15_665 ?
O2W Gd1 O3W O2W -70.1(14) 4 . . . ?
O2W Gd1 O3W O2W -24.3(13) 2 . . . ?
O2W Gd1 O3W O2W 27.4(10) 3 . . . ?
O3W Gd1 O3W O2W -87.2(13) 14_655 . . . ?
O3W Gd1 O3W O2W -81.7(11) 4 . . . ?
O3W Gd1 O3W O2W 36.9(13) 13_565 . . . ?
O3W Gd1 O3W O2W -32.7(16) 16 . . . ?
O3W Gd1 O3W O2W 43.2(11) 3 . . . ?
O3W Gd1 O3W O2W -19.2(11) 2 . . . ?
O3W Gd1 O3W O2W 67.0(12) 15_665 . . . ?
N1 Gd1 O3W O2W 66.5(13) 2 . . . ?
N1 Gd1 O3W O2W 104.3(13) 15_665 . . . ?
N1 Gd1 O3W O2W 55.2(15) 13_565 . . . ?
N1 Gd1 O3W O2W 115.1(13) 3 . . . ?
N1 Gd1 O3W O2W -152.6(13) . . . . ?
N1 Gd1 O3W O2W -112.5(13) 16 . . . ?
N1 Gd1 O3W O2W -165.8(13) 14_655 . . . ?
N1 Gd1 O3W O2W -104.2(14) 4 . . . ?
O1W Gd1 O3W O2W 160.8(11) . . . . ?
O2W Gd1 N1 N1 -118.8(3) 4 . . 14_655 ?
O2W Gd1 N1 N1 -139.2(6) 2 . . 14_655 ?
O2W Gd1 N1 N1 -58.4(3) . . . 14_655 ?
O2W Gd1 N1 N1 -51.3(6) 3 . . 14_655 ?
O3W Gd1 N1 N1 -122.7(3) 14_655 . . 14_655 ?
O3W Gd1 N1 N1 -133.2(4) 4 . . 14_655 ?
O3W Gd1 N1 N1 -51.4(3) . . . 14_655 ?
O3W Gd1 N1 N1 -31.6(7) 13_565 . . 14_655 ?
O3W Gd1 N1 N1 -157.7(4) 16 . . 14_655 ?
O3W Gd1 N1 N1 -27.9(5) 3 . . 14_655 ?
O3W Gd1 N1 N1 -157.6(5) 2 . . 14_655 ?
O3W Gd1 N1 N1 -43.4(4) 15_665 . . 14_655 ?
N1 Gd1 N1 N1 87.34(8) 2 . . 14_655 ?
N1 Gd1 N1 N1 21.6(2) 15_665 . . 14_655 ?
N1 Gd1 N1 N1 109.0(5) 13_565 . . 14_655 ?
N1 Gd1 N1 N1 16.24(18) 3 . . 14_655 ?
N1 Gd1 N1 N1 162.73(19) 16 . . 14_655 ?
N1 Gd1 N1 N1 158.4(2) 4 . . 14_655 ?
O1W Gd1 N1 N1 87.34(8) . . . 14_655 ?
O2W Gd1 N1 C1 -102(6) 4 . . . ?
O2W Gd1 N1 C1 -122(6) 2 . . . ?
O2W Gd1 N1 C1 -41(6) . . . . ?
O2W Gd1 N1 C1 -34(6) 3 . . . ?
O3W Gd1 N1 C1 -106(6) 14_655 . . . ?
O3W Gd1 N1 C1 -116(6) 4 . . . ?
O3W Gd1 N1 C1 -34(6) . . . . ?
O3W Gd1 N1 C1 -15(6) 13_565 . . . ?
O3W Gd1 N1 C1 -141(6) 16 . . . ?
O3W Gd1 N1 C1 -11(6) 3 . . . ?
O3W Gd1 N1 C1 -141(6) 2 . . . ?
O3W Gd1 N1 C1 -26(6) 15_665 . . . ?
N1 Gd1 N1 C1 104(6) 2 . . . ?
N1 Gd1 N1 C1 39(6) 15_665 . . . ?
N1 Gd1 N1 C1 126(5) 13_565 . . . ?
N1 Gd1 N1 C1 33(6) 3 . . . ?
N1 Gd1 N1 C1 180(6) 16 . . . ?
N1 Gd1 N1 C1 17(6) 14_655 . . . ?
N1 Gd1 N1 C1 175(6) 4 . . . ?
O1W Gd1 N1 C1 104(6) . . . . ?
O2W Gd1 N1 C1 -114.4(15) 4 . . 14_655 ?
O2W Gd1 N1 C1 -134.8(15) 2 . . 14_655 ?
O2W Gd1 N1 C1 -54.0(15) . . . 14_655 ?
O2W Gd1 N1 C1 -46.9(17) 3 . . 14_655 ?
O3W Gd1 N1 C1 -118.3(16) 14_655 . . 14_655 ?
O3W Gd1 N1 C1 -128.8(16) 4 . . 14_655 ?
O3W Gd1 N1 C1 -47.0(15) . . . 14_655 ?
O3W Gd1 N1 C1 -27.2(19) 13_565 . . 14_655 ?
O3W Gd1 N1 C1 -153.3(14) 16 . . 14_655 ?
O3W Gd1 N1 C1 -23.5(18) 3 . . 14_655 ?
O3W Gd1 N1 C1 -153.2(14) 2 . . 14_655 ?
O3W Gd1 N1 C1 -39.0(15) 15_665 . . 14_655 ?
N1 Gd1 N1 C1 91.7(15) 2 . . 14_655 ?
N1 Gd1 N1 C1 26.0(17) 15_665 . . 14_655 ?
N1 Gd1 N1 C1 113.4(14) 13_565 . . 14_655 ?
N1 Gd1 N1 C1 20.6(17) 3 . . 14_655 ?
N1 Gd1 N1 C1 167.1(14) 16 . . 14_655 ?
N1 Gd1 N1 C1 4.4(15) 14_655 . . 14_655 ?
N1 Gd1 N1 C1 162.8(13) 4 . . 14_655 ?
O1W Gd1 N1 C1 91.7(15) . . . 14_655 ?
N1 N1 C1 C1 0.0 14_655 . . 14_655 ?
Gd1 N1 C1 C1 -17(6) . . . 14_655 ?
C1 N1 C1 N1 0.000(2) 14_655 . . 14_655 ?
Gd1 N1 C1 N1 -17(6) . . . 14_655 ?
N1 N1 C1 W1 -2(11) 14_655 . . . ?
C1 N1 C1 W1 -2(11) 14_655 . . . ?
Gd1 N1 C1 W1 -18(16) . . . . ?
C1 W1 C1 C1 112.3(7) 13_575 . . 14_655 ?
C1 W1 C1 C1 -19.0(3) 11_566 . . 14_655 ?
C1 W1 C1 C1 -15.1(2) 7_456 . . 14_655 ?
C1 W1 C1 C1 87.66(8) 2_565 . . 14_655 ?
C1 W1 C1 C1 -165.7(2) 12_666 . . 14_655 ?
C1 W1 C1 C1 -160.9(3) 8_666 . . 14_655 ?
C2 W1 C1 C1 -79.2(2) 13_575 . . 14_655 ?
C2 W1 C1 C1 126.0(3) 11_566 . . 14_655 ?
C2 W1 C1 C1 -95.6(2) 2_565 . . 14_655 ?
C2 W1 C1 C1 127.4(3) 7_456 . . 14_655 ?
C2 W1 C1 C1 -87.0(5) . . . 14_655 ?
C2 W1 C1 C1 -112.6(5) 14_655 . . 14_655 ?
C2 W1 C1 C1 52.7(3) 8_666 . . 14_655 ?
C2 W1 C1 C1 48.1(3) 12_666 . . 14_655 ?
C1 W1 C1 N1 114(10) 13_575 . . . ?
C1 W1 C1 N1 -17(10) 11_566 . . . ?
C1 W1 C1 N1 -14(10) 7_456 . . . ?
C1 W1 C1 N1 89(11) 2_565 . . . ?
C1 W1 C1 N1 2(11) 14_655 . . . ?
C1 W1 C1 N1 -164(11) 12_666 . . . ?
C1 W1 C1 N1 -159(11) 8_666 . . . ?
C2 W1 C1 N1 -78(11) 13_575 . . . ?
C2 W1 C1 N1 128(11) 11_566 . . . ?
C2 W1 C1 N1 -94(11) 2_565 . . . ?
C2 W1 C1 N1 129(11) 7_456 . . . ?
C2 W1 C1 N1 -85(11) . . . . ?
C2 W1 C1 N1 -111(11) 14_655 . . . ?
C2 W1 C1 N1 54(11) 8_666 . . . ?
C2 W1 C1 N1 50(11) 12_666 . . . ?
C1 W1 C1 N1 112.5(14) 13_575 . . 14_655 ?
C1 W1 C1 N1 -18.7(13) 11_566 . . 14_655 ?
C1 W1 C1 N1 -14.9(14) 7_456 . . 14_655 ?
C1 W1 C1 N1 87.9(15) 2_565 . . 14_655 ?
C1 W1 C1 N1 0.2(16) 14_655 . . 14_655 ?
C1 W1 C1 N1 -165.5(18) 12_666 . . 14_655 ?
C1 W1 C1 N1 -160.6(18) 8_666 . . 14_655 ?
C2 W1 C1 N1 -79.0(15) 13_575 . . 14_655 ?
C2 W1 C1 N1 126.3(16) 11_566 . . 14_655 ?
C2 W1 C1 N1 -95.4(16) 2_565 . . 14_655 ?
C2 W1 C1 N1 127.6(17) 7_456 . . 14_655 ?
C2 W1 C1 N1 -86.7(16) . . . 14_655 ?
C2 W1 C1 N1 -112.4(15) 14_655 . . 14_655 ?
C2 W1 C1 N1 52.9(16) 8_666 . . 14_655 ?
C2 W1 C1 N1 48.3(15) 12_666 . . 14_655 ?
N2 N2 C2 C2 0.000(2) 14_655 . . 14_655 ?
C2 N2 C2 N2 0.000(2) 14_655 . . 14_655 ?
N2 N2 C2 W1 176(14) 14_655 . . . ?
C2 N2 C2 W1 176(14) 14_655 . . . ?
C1 W1 C2 C2 79.5(3) 13_575 . . 14_655 ?
C1 W1 C2 C2 -162.8(3) 11_566 . . 14_655 ?
C1 W1 C2 C2 -175.1(3) 7_456 . . 14_655 ?
C1 W1 C2 C2 95.1(3) 2_565 . . 14_655 ?
C1 W1 C2 C2 -112.5(5) 14_655 . . 14_655 ?
C1 W1 C2 C2 -4.5(3) 12_666 . . 14_655 ?
C1 W1 C2 C2 -16.5(3) 8_666 . . 14_655 ?
C1 W1 C2 C2 -88.2(5) . . . 14_655 ?
C2 W1 C2 C2 -95.86(16) 13_575 . . 14_655 ?
C2 W1 C2 C2 48.5(3) 11_566 . . 14_655 ?
C2 W1 C2 C2 -79.8(3) 2_565 . . 14_655 ?
C2 W1 C2 C2 36.65(11) 7_456 . . 14_655 ?
C2 W1 C2 C2 138.72(12) 8_666 . . 14_655 ?
C2 W1 C2 C2 151.9(3) 12_666 . . 14_655 ?
C1 W1 C2 N2 -96(14) 13_575 . . . ?
C1 W1 C2 N2 21(14) 11_566 . . . ?
C1 W1 C2 N2 9(14) 7_456 . . . ?
C1 W1 C2 N2 -81(14) 2_565 . . . ?
C1 W1 C2 N2 72(14) 14_655 . . . ?
C1 W1 C2 N2 180(100) 12_666 . . . ?
C1 W1 C2 N2 168(14) 8_666 . . . ?
C1 W1 C2 N2 96(14) . . . . ?
C2 W1 C2 N2 88(14) 13_575 . . . ?
C2 W1 C2 N2 -127(14) 11_566 . . . ?
C2 W1 C2 N2 104(14) 2_565 . . . ?
C2 W1 C2 N2 -139(14) 7_456 . . . ?
C2 W1 C2 N2 -176(14) 14_655 . . . ?
C2 W1 C2 N2 -37(14) 8_666 . . . ?
C2 W1 C2 N2 -24(14) 12_666 . . . ?
C1 W1 C2 N2 79.2(11) 13_575 . . 14_655 ?
C1 W1 C2 N2 -163.1(12) 11_566 . . 14_655 ?
C1 W1 C2 N2 -175.4(12) 7_456 . . 14_655 ?
C1 W1 C2 N2 94.7(11) 2_565 . . 14_655 ?
C1 W1 C2 N2 -112.8(11) 14_655 . . 14_655 ?
C1 W1 C2 N2 -4.8(11) 12_666 . . 14_655 ?
C1 W1 C2 N2 -16.8(11) 8_666 . . 14_655 ?
C1 W1 C2 N2 -88.5(12) . . . 14_655 ?
C2 W1 C2 N2 -96.2(11) 13_575 . . 14_655 ?
C2 W1 C2 N2 48.2(10) 11_566 . . 14_655 ?
C2 W1 C2 N2 -80.1(11) 2_565 . . 14_655 ?
C2 W1 C2 N2 36.3(10) 7_456 . . 14_655 ?
C2 W1 C2 N2 -0.3(11) 14_655 . . 14_655 ?
C2 W1 C2 N2 138.4(12) 8_666 . . 14_655 ?
C2 W1 C2 N2 151.5(12) 12_666 . . 14_655 ?
