#------------------------------------------------------------------------------
#$Date: 2017-03-02 19:20:33 +0200 (Thu, 02 Mar 2017) $
#$Revision: 192782 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/36/4313677.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_4313677
loop_
_publ_author_name
'Radhakrishnan Srinivasan'
'Markus Ströbele'
'H.-Jürgen Meyer'
_publ_contact_author
;
         Prof. Dr. Hans-Juergen Meyer
          Institut fuer Anorganische Chemie
          Universitaet Tuebingen
          Auf der Morgenstelle 18
          72076 Tuebingen
          Bundesrepublik Deutschland
;
_publ_contact_author_email       juergen.meyer@uni-tuebingen.de
_publ_contact_author_fax         '07071 29-5302'
_publ_contact_author_phone       '07071 29-76226'
_publ_section_title
;
 Chains of [RE6] Octahedra Coupled by (NCN) Links in the Network Structure
 of RE2Cl(CN2)N. Synthesis and Structure of Two Novel Rare Earth Chloride
 Carbodiimide Nitrides with Structures Related to the RE2Cl3 Type
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3406
_journal_page_last               3411
_journal_paper_doi               10.1021/ic020685z
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         Ce2(CN2)NCl
_chemical_formula_sum            'C Ce2 Cl N3'
_chemical_formula_weight         369.73
_chemical_name_common            ceriumcyanamidenitridechloride
_chemical_name_systematic        Diceriumcyanamidenitridechloride
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3396(11)
_cell_length_b                   9.5267(8)
_cell_length_c                   3.9402(5)
_cell_measurement_reflns_used    4265
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.57
_cell_measurement_theta_min      4.28
_cell_volume                     500.73(9)
_computing_cell_refinement       'STOE IPDS Software'
_computing_data_collection       'STOE IPDS Software'
_computing_data_reduction        'STOE IPDS Software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'phi scan'
_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  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0187
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            3435
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         4.28
_diffrn_standards_decay_%        0.1
_exptl_absorpt_coefficient_mu    18.332
_exptl_absorpt_correction_T_max  0.8084
_exptl_absorpt_correction_T_min  0.5434
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   x-red/x-shape
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.904
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.177
_refine_diff_density_min         -1.077
_refine_diff_density_rms         0.268
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     27
_refine_ls_number_reflns         422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0200
_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)+(0.0361P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0485
_refine_ls_wR_factor_ref         0.0505
_reflns_number_gt                364
_reflns_number_total             422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020685z_2.cif
_cod_data_source_block           Ce2(CN2)NCl
_cod_depositor_comments
;
The following automatic conversions were performed:
data name '_publ_contact_autor' replaced with '_publ_contact_author'
as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
;
_cod_database_code               4313677
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.36240(4) 0.0000 1.0000 0.01111(15) Uani 1 4 d S . .
Ce2 Ce 0.0000 0.21059(4) 0.5000 0.01195(15) Uani 1 4 d S . .
Cl4 Cl 0.1225(2) 0.0000 1.0000 0.0299(6) Uani 1 4 d S . .
N1 N 0.0000 0.3428(7) 0.0000 0.0127(13) Uani 1 4 d S . .
N2 N 0.3238(5) 0.1710(5) 0.5000 0.0154(10) Uani 1 2 d S . .
C1 C 0.2500 0.2500 0.5000 0.0138(16) Uani 1 4 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ce Ce -0.2486 2.6331 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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
N1 Ce1 N1 78.4(3) 13_556 5_546 ?
N1 Ce1 N2 123.24(13) 13_556 3_556 ?
N1 Ce1 N2 76.01(15) 5_546 3_556 ?
N1 Ce1 N2 76.01(15) 13_556 1_556 ?
N1 Ce1 N2 123.24(13) 5_546 1_556 ?
N2 Ce1 N2 157.2(3) 3_556 1_556 ?
N1 Ce1 N2 76.01(15) 13_556 . ?
N1 Ce1 N2 123.24(13) 5_546 . ?
N2 Ce1 N2 77.33(18) 3_556 . ?
N2 Ce1 N2 98.12(17) 1_556 . ?
N1 Ce1 N2 123.24(13) 13_556 3_557 ?
N1 Ce1 N2 76.01(15) 5_546 3_557 ?
N2 Ce1 N2 98.12(17) 3_556 3_557 ?
N2 Ce1 N2 77.33(18) 1_556 3_557 ?
N2 Ce1 N2 157.2(3) . 3_557 ?
N1 Ce1 Cl4 140.79(13) 13_556 . ?
N1 Ce1 Cl4 140.79(13) 5_546 . ?
N2 Ce1 Cl4 78.60(14) 3_556 . ?
N2 Ce1 Cl4 78.60(14) 1_556 . ?
N2 Ce1 Cl4 78.60(14) . . ?
N2 Ce1 Cl4 78.60(14) 3_557 . ?
N1 Ce1 Ce1 39.21(13) 13_556 9_657 ?
N1 Ce1 Ce1 39.21(13) 5_546 9_657 ?
N2 Ce1 Ce1 101.40(14) 3_556 9_657 ?
N2 Ce1 Ce1 101.40(14) 1_556 9_657 ?
N2 Ce1 Ce1 101.40(14) . 9_657 ?
N2 Ce1 Ce1 101.40(14) 3_557 9_657 ?
Cl4 Ce1 Ce1 180.0 . 9_657 ?
N1 Ce1 Ce2 34.79(6) 13_556 13_557 ?
N1 Ce1 Ce2 94.77(11) 5_546 13_557 ?
N2 Ce1 Ce2 158.01(12) 3_556 13_557 ?
N2 Ce1 Ce2 42.36(14) 1_556 13_557 ?
N2 Ce1 Ce2 91.91(11) . 13_557 ?
N2 Ce1 Ce2 98.91(9) 3_557 13_557 ?
Cl4 Ce1 Ce2 118.443(7) . 13_557 ?
Ce1 Ce1 Ce2 61.557(7) 9_657 13_557 ?
N1 Ce1 Ce2 94.77(11) 13_556 5_545 ?
N1 Ce1 Ce2 34.79(6) 5_546 5_545 ?
N2 Ce1 Ce2 42.36(14) 3_556 5_545 ?
N2 Ce1 Ce2 158.01(12) 1_556 5_545 ?
N2 Ce1 Ce2 98.91(9) . 5_545 ?
N2 Ce1 Ce2 91.91(11) 3_557 5_545 ?
Cl4 Ce1 Ce2 118.443(7) . 5_545 ?
Ce1 Ce1 Ce2 61.557(7) 9_657 5_545 ?
Ce2 Ce1 Ce2 123.114(14) 13_557 5_545 ?
N1 Ce1 Ce2 94.77(11) 13_556 5_546 ?
N1 Ce1 Ce2 34.79(6) 5_546 5_546 ?
N2 Ce1 Ce2 91.91(11) 3_556 5_546 ?
N2 Ce1 Ce2 98.91(9) 1_556 5_546 ?
N2 Ce1 Ce2 158.01(12) . 5_546 ?
N2 Ce1 Ce2 42.36(14) 3_557 5_546 ?
Cl4 Ce1 Ce2 118.443(7) . 5_546 ?
Ce1 Ce1 Ce2 61.557(7) 9_657 5_546 ?
Ce2 Ce1 Ce2 91.355(13) 13_557 5_546 ?
Ce2 Ce1 Ce2 61.488(10) 5_545 5_546 ?
N1 Ce1 Ce2 34.79(6) 13_556 13_556 ?
N1 Ce1 Ce2 94.77(11) 5_546 13_556 ?
N2 Ce1 Ce2 98.91(9) 3_556 13_556 ?
N2 Ce1 Ce2 91.91(11) 1_556 13_556 ?
N2 Ce1 Ce2 42.36(14) . 13_556 ?
N2 Ce1 Ce2 158.01(12) 3_557 13_556 ?
Cl4 Ce1 Ce2 118.443(7) . 13_556 ?
Ce1 Ce1 Ce2 61.557(7) 9_657 13_556 ?
Ce2 Ce1 Ce2 61.488(10) 13_557 13_556 ?
Ce2 Ce1 Ce2 91.355(13) 5_545 13_556 ?
Ce2 Ce1 Ce2 123.114(14) 5_546 13_556 ?
N1 Ce2 N1 114.8(3) 1_556 . ?
N1 Ce2 N2 76.53(8) 1_556 13_556 ?
N1 Ce2 N2 76.53(8) . 13_556 ?
N1 Ce2 N2 76.53(8) 1_556 7_456 ?
N1 Ce2 N2 76.53(8) . 7_456 ?
N2 Ce2 N2 128.8(2) 13_556 7_456 ?
N1 Ce2 Cl4 147.43(7) 1_556 9_556 ?
N1 Ce2 Cl4 79.74(12) . 9_556 ?
N2 Ce2 Cl4 136.03(7) 13_556 9_556 ?
N2 Ce2 Cl4 79.27(10) 7_456 9_556 ?
N1 Ce2 Cl4 147.43(7) 1_556 1_554 ?
N1 Ce2 Cl4 79.74(12) . 1_554 ?
N2 Ce2 Cl4 79.27(10) 13_556 1_554 ?
N2 Ce2 Cl4 136.03(7) 7_456 1_554 ?
Cl4 Ce2 Cl4 60.31(9) 9_556 1_554 ?
N1 Ce2 Cl4 79.74(12) 1_556 . ?
N1 Ce2 Cl4 147.43(7) . . ?
N2 Ce2 Cl4 79.27(10) 13_556 . ?
N2 Ce2 Cl4 136.03(7) 7_456 . ?
Cl4 Ce2 Cl4 103.81(4) 9_556 . ?
Cl4 Ce2 Cl4 74.58(4) 1_554 . ?
N1 Ce2 Cl4 79.74(12) 1_556 9_557 ?
N1 Ce2 Cl4 147.43(7) . 9_557 ?
N2 Ce2 Cl4 136.03(7) 13_556 9_557 ?
N2 Ce2 Cl4 79.27(10) 7_456 9_557 ?
Cl4 Ce2 Cl4 74.58(4) 9_556 9_557 ?
Cl4 Ce2 Cl4 103.81(4) 1_554 9_557 ?
Cl4 Ce2 Cl4 60.31(9) . 9_557 ?
N1 Ce2 Ce1 35.31(8) 1_556 13_557 ?
N1 Ce2 Ce1 92.60(12) . 13_557 ?
N2 Ce2 Ce1 42.37(8) 13_556 13_557 ?
N2 Ce2 Ce1 96.90(10) 7_456 13_557 ?
Cl4 Ce2 Ce1 172.028(12) 9_556 13_557 ?
Cl4 Ce2 Ce1 120.79(5) 1_554 13_557 ?
Cl4 Ce2 Ce1 83.82(2) . 13_557 ?
Cl4 Ce2 Ce1 111.773(19) 9_557 13_557 ?
N1 Ce2 Ce1 35.31(8) 1_556 5_455 ?
N1 Ce2 Ce1 92.60(12) . 5_455 ?
N2 Ce2 Ce1 96.90(10) 13_556 5_455 ?
N2 Ce2 Ce1 42.37(8) 7_456 5_455 ?
Cl4 Ce2 Ce1 120.79(5) 9_556 5_455 ?
Cl4 Ce2 Ce1 172.028(12) 1_554 5_455 ?
Cl4 Ce2 Ce1 111.773(19) . 5_455 ?
Cl4 Ce2 Ce1 83.82(2) 9_557 5_455 ?
Ce1 Ce2 Ce1 56.886(14) 13_557 5_455 ?
N1 Ce2 Ce1 92.60(12) 1_556 5_454 ?
N1 Ce2 Ce1 35.31(8) . 5_454 ?
N2 Ce2 Ce1 96.90(10) 13_556 5_454 ?
N2 Ce2 Ce1 42.37(8) 7_456 5_454 ?
Cl4 Ce2 Ce1 83.82(2) 9_556 5_454 ?
Cl4 Ce2 Ce1 111.773(19) 1_554 5_454 ?
Cl4 Ce2 Ce1 172.028(12) . 5_454 ?
Cl4 Ce2 Ce1 120.79(5) 9_557 5_454 ?
Ce1 Ce2 Ce1 88.645(13) 13_557 5_454 ?
Ce1 Ce2 Ce1 61.488(10) 5_455 5_454 ?
N1 Ce2 Ce1 92.60(12) 1_556 13_556 ?
N1 Ce2 Ce1 35.31(8) . 13_556 ?
N2 Ce2 Ce1 42.37(8) 13_556 13_556 ?
N2 Ce2 Ce1 96.90(10) 7_456 13_556 ?
Cl4 Ce2 Ce1 111.773(19) 9_556 13_556 ?
Cl4 Ce2 Ce1 83.82(2) 1_554 13_556 ?
Cl4 Ce2 Ce1 120.79(5) . 13_556 ?
Cl4 Ce2 Ce1 172.028(12) 9_557 13_556 ?
Ce1 Ce2 Ce1 61.488(10) 13_557 13_556 ?
Ce1 Ce2 Ce1 88.645(13) 5_455 13_556 ?
Ce1 Ce2 Ce1 56.886(14) 5_454 13_556 ?
Ce1 Cl4 Ce2 120.15(5) . 9_556 ?
Ce1 Cl4 Ce2 120.15(5) . 1_556 ?
Ce2 Cl4 Ce2 119.69(9) 9_556 1_556 ?
Ce1 Cl4 Ce2 120.15(5) . . ?
Ce2 Cl4 Ce2 76.19(4) 9_556 . ?
Ce2 Cl4 Ce2 74.58(4) 1_556 . ?
Ce1 Cl4 Ce2 120.15(5) . 9_557 ?
Ce2 Cl4 Ce2 74.58(4) 9_556 9_557 ?
Ce2 Cl4 Ce2 76.19(4) 1_556 9_557 ?
Ce2 Cl4 Ce2 119.69(9) . 9_557 ?
Ce2 N1 Ce2 114.8(3) 1_554 . ?
Ce2 N1 Ce1 109.91(2) 1_554 13_556 ?
Ce2 N1 Ce1 109.91(2) . 13_556 ?
Ce2 N1 Ce1 109.91(2) 1_554 5_454 ?
Ce2 N1 Ce1 109.91(2) . 5_454 ?
Ce1 N1 Ce1 101.6(3) 13_556 5_454 ?
C1 N2 Ce2 117.0(3) . 13_556 ?
C1 N2 Ce1 122.4(2) . 1_554 ?
Ce2 N2 Ce1 95.28(17) 13_556 1_554 ?
C1 N2 Ce1 122.4(2) . . ?
Ce2 N2 Ce1 95.28(17) 13_556 . ?
Ce1 N2 Ce1 98.12(17) 1_554 . ?
N2 C1 N2 180.0(4) . 13_556 ?
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
Ce1 N1 2.369(4) 13_556 ?
Ce1 N1 2.369(4) 5_546 ?
Ce1 N2 2.608(3) 3_556 ?
Ce1 N2 2.608(3) 1_556 ?
Ce1 N2 2.608(3) . ?
Ce1 N2 2.608(3) 3_557 ?
Ce1 Cl4 3.201(3) . ?
Ce1 Ce1 3.6711(10) 9_657 ?
Ce1 Ce2 3.8538(4) 13_557 ?
Ce1 Ce2 3.8538(4) 5_545 ?
Ce1 Ce2 3.8538(4) 5_546 ?
Ce1 Ce2 3.8538(4) 13_556 ?
Ce2 N1 2.338(4) 1_556 ?
Ce2 N1 2.338(4) . ?
Ce2 N2 2.608(6) 13_556 ?
Ce2 N2 2.608(6) 7_456 ?
Ce2 Cl4 3.2519(16) 9_556 ?
Ce2 Cl4 3.2519(16) 1_554 ?
Ce2 Cl4 3.2519(16) . ?
Ce2 Cl4 3.2519(16) 9_557 ?
Ce2 Ce1 3.8538(4) 13_557 ?
Ce2 Ce1 3.8538(4) 5_455 ?
Ce2 Ce1 3.8538(4) 5_454 ?
Ce2 Ce1 3.8538(4) 13_556 ?
Cl4 Ce2 3.2519(16) 9_556 ?
Cl4 Ce2 3.2519(16) 1_556 ?
Cl4 Ce2 3.2519(16) 9_557 ?
N1 Ce2 2.338(4) 1_554 ?
N1 Ce1 2.369(4) 13_556 ?
N1 Ce1 2.369(4) 5_454 ?
N2 C1 1.238(6) . ?
N2 Ce2 2.608(6) 13_556 ?
N2 Ce1 2.608(3) 1_554 ?
C1 N2 1.238(6) 13_556 ?
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
N1 Ce1 Cl4 Ce2 135.521(7) 13_556 . . 9_556 ?
N1 Ce1 Cl4 Ce2 -44.479(7) 5_546 . . 9_556 ?
N2 Ce1 Cl4 Ce2 5.93(9) 3_556 . . 9_556 ?
N2 Ce1 Cl4 Ce2 -174.07(9) 1_556 . . 9_556 ?
N2 Ce1 Cl4 Ce2 85.11(9) . . . 9_556 ?
N2 Ce1 Cl4 Ce2 -94.89(9) 3_557 . . 9_556 ?
Ce1 Ce1 Cl4 Ce2 0(100) 9_657 . . 9_556 ?
Ce2 Ce1 Cl4 Ce2 171.069(10) 13_557 . . 9_556 ?
Ce2 Ce1 Cl4 Ce2 -8.931(10) 5_545 . . 9_556 ?
Ce2 Ce1 Cl4 Ce2 -80.027(9) 5_546 . . 9_556 ?
Ce2 Ce1 Cl4 Ce2 99.973(9) 13_556 . . 9_556 ?
N1 Ce1 Cl4 Ce2 -44.479(7) 13_556 . . 1_556 ?
N1 Ce1 Cl4 Ce2 135.521(7) 5_546 . . 1_556 ?
N2 Ce1 Cl4 Ce2 -174.07(9) 3_556 . . 1_556 ?
N2 Ce1 Cl4 Ce2 5.93(9) 1_556 . . 1_556 ?
N2 Ce1 Cl4 Ce2 -94.89(9) . . . 1_556 ?
N2 Ce1 Cl4 Ce2 85.11(9) 3_557 . . 1_556 ?
Ce1 Ce1 Cl4 Ce2 0(46) 9_657 . . 1_556 ?
Ce2 Ce1 Cl4 Ce2 -8.931(10) 13_557 . . 1_556 ?
Ce2 Ce1 Cl4 Ce2 171.069(10) 5_545 . . 1_556 ?
Ce2 Ce1 Cl4 Ce2 99.973(9) 5_546 . . 1_556 ?
Ce2 Ce1 Cl4 Ce2 -80.027(9) 13_556 . . 1_556 ?
N1 Ce1 Cl4 Ce2 44.479(7) 13_556 . . . ?
N1 Ce1 Cl4 Ce2 -135.521(7) 5_546 . . . ?
N2 Ce1 Cl4 Ce2 -85.11(9) 3_556 . . . ?
N2 Ce1 Cl4 Ce2 94.89(9) 1_556 . . . ?
N2 Ce1 Cl4 Ce2 -5.93(9) . . . . ?
N2 Ce1 Cl4 Ce2 174.07(9) 3_557 . . . ?
Ce1 Ce1 Cl4 Ce2 0(46) 9_657 . . . ?
Ce2 Ce1 Cl4 Ce2 80.027(9) 13_557 . . . ?
Ce2 Ce1 Cl4 Ce2 -99.973(9) 5_545 . . . ?
Ce2 Ce1 Cl4 Ce2 -171.069(10) 5_546 . . . ?
Ce2 Ce1 Cl4 Ce2 8.931(10) 13_556 . . . ?
N1 Ce1 Cl4 Ce2 -135.521(7) 13_556 . . 9_557 ?
N1 Ce1 Cl4 Ce2 44.479(7) 5_546 . . 9_557 ?
N2 Ce1 Cl4 Ce2 94.89(9) 3_556 . . 9_557 ?
N2 Ce1 Cl4 Ce2 -85.11(9) 1_556 . . 9_557 ?
N2 Ce1 Cl4 Ce2 174.07(9) . . . 9_557 ?
N2 Ce1 Cl4 Ce2 -5.93(9) 3_557 . . 9_557 ?
Ce1 Ce1 Cl4 Ce2 0(100) 9_657 . . 9_557 ?
Ce2 Ce1 Cl4 Ce2 -99.973(9) 13_557 . . 9_557 ?
Ce2 Ce1 Cl4 Ce2 80.027(9) 5_545 . . 9_557 ?
Ce2 Ce1 Cl4 Ce2 8.931(10) 5_546 . . 9_557 ?
Ce2 Ce1 Cl4 Ce2 -171.069(10) 13_556 . . 9_557 ?
N1 Ce2 Cl4 Ce1 -96.03(7) 1_556 . . . ?
N1 Ce2 Cl4 Ce1 24.6(2) . . . . ?
N2 Ce2 Cl4 Ce1 -17.96(7) 13_556 . . . ?
N2 Ce2 Cl4 Ce1 -154.12(15) 7_456 . . . ?
Cl4 Ce2 Cl4 Ce1 117.09(3) 9_556 . . . ?
Cl4 Ce2 Cl4 Ce1 63.74(3) 1_554 . . . ?
Cl4 Ce2 Cl4 Ce1 180.0 9_557 . . . ?
Ce1 Ce2 Cl4 Ce1 -60.582(9) 13_557 . . . ?
Ce1 Ce2 Cl4 Ce1 -111.168(18) 5_455 . . . ?
Ce1 Ce2 Cl4 Ce1 -79.8(3) 5_454 . . . ?
Ce1 Ce2 Cl4 Ce1 -9.143(12) 13_556 . . . ?
N1 Ce2 Cl4 Ce2 146.87(8) 1_556 . . 9_556 ?
N1 Ce2 Cl4 Ce2 -92.5(2) . . . 9_556 ?
N2 Ce2 Cl4 Ce2 -135.05(8) 13_556 . . 9_556 ?
N2 Ce2 Cl4 Ce2 88.79(15) 7_456 . . 9_556 ?
Cl4 Ce2 Cl4 Ce2 0.0 9_556 . . 9_556 ?
Cl4 Ce2 Cl4 Ce2 -53.35(6) 1_554 . . 9_556 ?
Cl4 Ce2 Cl4 Ce2 62.91(3) 9_557 . . 9_556 ?
Ce1 Ce2 Cl4 Ce2 -177.67(4) 13_557 . . 9_556 ?
Ce1 Ce2 Cl4 Ce2 131.741(18) 5_455 . . 9_556 ?
Ce1 Ce2 Cl4 Ce2 163.1(3) 5_454 . . 9_556 ?
Ce1 Ce2 Cl4 Ce2 -126.23(3) 13_556 . . 9_556 ?
N1 Ce2 Cl4 Ce2 20.22(8) 1_556 . . 1_556 ?
N1 Ce2 Cl4 Ce2 140.8(2) . . . 1_556 ?
N2 Ce2 Cl4 Ce2 98.29(8) 13_556 . . 1_556 ?
N2 Ce2 Cl4 Ce2 -37.87(16) 7_456 . . 1_556 ?
Cl4 Ce2 Cl4 Ce2 -126.65(6) 9_556 . . 1_556 ?
Cl4 Ce2 Cl4 Ce2 180.0 1_554 . . 1_556 ?
Cl4 Ce2 Cl4 Ce2 -63.74(3) 9_557 . . 1_556 ?
Ce1 Ce2 Cl4 Ce2 55.67(3) 13_557 . . 1_556 ?
Ce1 Ce2 Cl4 Ce2 5.09(5) 5_455 . . 1_556 ?
Ce1 Ce2 Cl4 Ce2 36.4(4) 5_454 . . 1_556 ?
Ce1 Ce2 Cl4 Ce2 107.11(4) 13_556 . . 1_556 ?
N1 Ce2 Cl4 Ce2 83.97(7) 1_556 . . 9_557 ?
N1 Ce2 Cl4 Ce2 -155.4(2) . . . 9_557 ?
N2 Ce2 Cl4 Ce2 162.04(7) 13_556 . . 9_557 ?
N2 Ce2 Cl4 Ce2 25.88(15) 7_456 . . 9_557 ?
Cl4 Ce2 Cl4 Ce2 -62.91(3) 9_556 . . 9_557 ?
Cl4 Ce2 Cl4 Ce2 -116.26(3) 1_554 . . 9_557 ?
Cl4 Ce2 Cl4 Ce2 0.0 9_557 . . 9_557 ?
Ce1 Ce2 Cl4 Ce2 119.418(9) 13_557 . . 9_557 ?
Ce1 Ce2 Cl4 Ce2 68.832(18) 5_455 . . 9_557 ?
Ce1 Ce2 Cl4 Ce2 100.2(3) 5_454 . . 9_557 ?
Ce1 Ce2 Cl4 Ce2 170.857(12) 13_556 . . 9_557 ?
N1 Ce2 N1 Ce2 180.0 1_556 . . 1_554 ?
N2 Ce2 N1 Ce2 112.00(11) 13_556 . . 1_554 ?
N2 Ce2 N1 Ce2 -112.00(11) 7_456 . . 1_554 ?
Cl4 Ce2 N1 Ce2 -30.70(5) 9_556 . . 1_554 ?
Cl4 Ce2 N1 Ce2 30.70(5) 1_554 . . 1_554 ?
Cl4 Ce2 N1 Ce2 68.9(2) . . . 1_554 ?
Cl4 Ce2 N1 Ce2 -68.9(2) 9_557 . . 1_554 ?
Ce1 Ce2 N1 Ce2 151.525(8) 13_557 . . 1_554 ?
Ce1 Ce2 N1 Ce2 -151.525(8) 5_455 . . 1_554 ?
Ce1 Ce2 N1 Ce2 -124.50(16) 5_454 . . 1_554 ?
Ce1 Ce2 N1 Ce2 124.50(16) 13_556 . . 1_554 ?
N1 Ce2 N1 Ce1 55.50(16) 1_556 . . 13_556 ?
N2 Ce2 N1 Ce1 -12.50(17) 13_556 . . 13_556 ?
N2 Ce2 N1 Ce1 123.5(2) 7_456 . . 13_556 ?
Cl4 Ce2 N1 Ce1 -155.20(18) 9_556 . . 13_556 ?
Cl4 Ce2 N1 Ce1 -93.81(16) 1_554 . . 13_556 ?
Cl4 Ce2 N1 Ce1 -55.6(4) . . . 13_556 ?
Cl4 Ce2 N1 Ce1 166.56(6) 9_557 . . 13_556 ?
Ce1 Ce2 N1 Ce1 27.02(16) 13_557 . . 13_556 ?
Ce1 Ce2 N1 Ce1 83.97(16) 5_455 . . 13_556 ?
Ce1 Ce2 N1 Ce1 111.0(3) 5_454 . . 13_556 ?
N1 Ce2 N1 Ce1 -55.50(16) 1_556 . . 5_454 ?
N2 Ce2 N1 Ce1 -123.5(2) 13_556 . . 5_454 ?
N2 Ce2 N1 Ce1 12.50(17) 7_456 . . 5_454 ?
Cl4 Ce2 N1 Ce1 93.81(15) 9_556 . . 5_454 ?
Cl4 Ce2 N1 Ce1 155.20(18) 1_554 . . 5_454 ?
Cl4 Ce2 N1 Ce1 -166.56(6) . . . 5_454 ?
Cl4 Ce2 N1 Ce1 55.6(4) 9_557 . . 5_454 ?
Ce1 Ce2 N1 Ce1 -83.97(16) 13_557 . . 5_454 ?
Ce1 Ce2 N1 Ce1 -27.02(16) 5_455 . . 5_454 ?
Ce1 Ce2 N1 Ce1 -111.0(3) 13_556 . . 5_454 ?
N1 Ce1 N2 C1 -116.2(4) 13_556 . . . ?
N1 Ce1 N2 C1 178.1(3) 5_546 . . . ?
N2 Ce1 N2 C1 114.4(3) 3_556 . . . ?
N2 Ce1 N2 C1 -42.9(5) 1_556 . . . ?
N2 Ce1 N2 C1 33.7(3) 3_557 . . . ?
Cl4 Ce1 N2 C1 33.7(3) . . . . ?
Ce1 Ce1 N2 C1 -146.3(3) 9_657 . . . ?
Ce2 Ce1 N2 C1 -85.0(4) 13_557 . . . ?
Ce2 Ce1 N2 C1 151.1(3) 5_545 . . . ?
Ce2 Ce1 N2 C1 176.66(7) 5_546 . . . ?
Ce2 Ce1 N2 C1 -126.8(4) 13_556 . . . ?
N1 Ce1 N2 Ce2 10.58(13) 13_556 . . 13_556 ?
N1 Ce1 N2 Ce2 -55.17(19) 5_546 . . 13_556 ?
N2 Ce1 N2 Ce2 -118.84(11) 3_556 . . 13_556 ?
N2 Ce1 N2 Ce2 83.9(2) 1_556 . . 13_556 ?
N2 Ce1 N2 Ce2 160.45(11) 3_557 . . 13_556 ?
Cl4 Ce1 N2 Ce2 160.45(11) . . . 13_556 ?
Ce1 Ce1 N2 Ce2 -19.55(11) 9_657 . . 13_556 ?
Ce2 Ce1 N2 Ce2 41.80(10) 13_557 . . 13_556 ?
Ce2 Ce1 N2 Ce2 -82.15(10) 5_545 . . 13_556 ?
Ce2 Ce1 N2 Ce2 -56.6(3) 5_546 . . 13_556 ?
N1 Ce1 N2 Ce1 106.7(2) 13_556 . . 1_554 ?
N1 Ce1 N2 Ce1 40.9(3) 5_546 . . 1_554 ?
N2 Ce1 N2 Ce1 -22.7(3) 3_556 . . 1_554 ?
N2 Ce1 N2 Ce1 180.0 1_556 . . 1_554 ?
N2 Ce1 N2 Ce1 -103.44(17) 3_557 . . 1_554 ?
Cl4 Ce1 N2 Ce1 -103.44(17) . . . 1_554 ?
Ce1 Ce1 N2 Ce1 76.56(17) 9_657 . . 1_554 ?
Ce2 Ce1 N2 Ce1 137.91(16) 13_557 . . 1_554 ?
Ce2 Ce1 N2 Ce1 13.96(18) 5_545 . . 1_554 ?
Ce2 Ce1 N2 Ce1 39.5(4) 5_546 . . 1_554 ?
Ce2 Ce1 N2 Ce1 96.1(2) 13_556 . . 1_554 ?
Ce2 N2 C1 N2 180.0 13_556 . . 13_556 ?
Ce1 N2 C1 N2 63.5(3) 1_554 . . 13_556 ?
Ce1 N2 C1 N2 -63.5(3) . . . 13_556 ?
