#------------------------------------------------------------------------------
#$Date: 2017-03-02 19:20:33 +0200 (Thu, 02 Mar 2017) $
#$Revision: 192782 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/36/4313676.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_4313676
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_sum            'C Cl La2 N3'
_chemical_formula_weight         367.31
_chemical_name_common            'Di lanthanumcyanamidenitridechloride'
_chemical_name_systematic
;

   ?

;
_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                   13.3914(8)
_cell_length_b                   9.6345(7)
_cell_length_c                   3.9568(2)
_cell_measurement_reflns_used    6243
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.86
_cell_measurement_theta_min      4.23
_cell_volume                     510.50(5)
_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       Oscillation
_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  0.0354
_diffrn_reflns_av_sigmaI/netI    0.0152
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            5224
_diffrn_reflns_theta_full        32.86
_diffrn_reflns_theta_max         32.86
_diffrn_reflns_theta_min         4.23
_diffrn_standards_decay_%        0.01
_exptl_absorpt_coefficient_mu    16.884
_exptl_absorpt_correction_T_max  0.7237
_exptl_absorpt_correction_T_min  0.4664
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   X-Red/X-Shape
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    4.779
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.124
_refine_diff_density_min         -1.780
_refine_diff_density_rms         0.318
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     27
_refine_ls_number_reflns         552
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0185
_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)+(0.0313P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0455
_refine_ls_wR_factor_ref         0.0467
_reflns_number_gt                491
_reflns_number_total             552
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020685z_1.cif
_cod_data_source_block           CClLa2N3
_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               4313676
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
La1 La 0.36132(2) 1.0000 1.0000 0.00866(9) Uani 1 4 d S . .
La2 La 0.5000 0.71113(3) 0.5000 0.00954(10) Uani 1 4 d S . .
Cl1 Cl 0.12216(12) 1.0000 1.0000 0.0229(3) Uani 1 4 d S . .
N1 N 0.5000 0.8434(4) 0.0000 0.0092(8) Uani 1 4 d S . .
N2 N 0.3226(2) 1.1713(3) 0.5000 0.0128(6) Uani 1 2 d S . .
C1 C 0.2500 1.2500 0.5000 0.0108(9) 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
La La -0.2871 2.4523 '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'
N N 0.0061 0.0033 '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'
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 La1 N1 78.19(16) 9_676 1_556 ?
N1 La1 N2 123.30(7) 9_676 3_576 ?
N1 La1 N2 75.94(9) 1_556 3_576 ?
N1 La1 N2 75.94(9) 9_676 1_556 ?
N1 La1 N2 123.30(7) 1_556 1_556 ?
N2 La1 N2 157.26(14) 3_576 1_556 ?
N1 La1 N2 75.94(9) 9_676 . ?
N1 La1 N2 123.30(7) 1_556 . ?
N2 La1 N2 77.80(12) 3_576 . ?
N2 La1 N2 97.68(11) 1_556 . ?
N1 La1 N2 123.30(7) 9_676 3_577 ?
N1 La1 N2 75.94(9) 1_556 3_577 ?
N2 La1 N2 97.68(11) 3_576 3_577 ?
N2 La1 N2 77.80(12) 1_556 3_577 ?
N2 La1 N2 157.26(14) . 3_577 ?
N1 La1 Cl1 140.90(8) 9_676 . ?
N1 La1 Cl1 140.90(8) 1_556 . ?
N2 La1 Cl1 78.63(7) 3_576 . ?
N2 La1 Cl1 78.63(7) 1_556 . ?
N2 La1 Cl1 78.63(7) . . ?
N2 La1 Cl1 78.63(7) 3_577 . ?
N1 La1 La1 39.10(8) 9_676 9_677 ?
N1 La1 La1 39.10(8) 1_556 9_677 ?
N2 La1 La1 101.37(7) 3_576 9_677 ?
N2 La1 La1 101.37(7) 1_556 9_677 ?
N2 La1 La1 101.37(7) . 9_677 ?
N2 La1 La1 101.37(7) 3_577 9_677 ?
Cl1 La1 La1 180.0 . 9_677 ?
N1 La1 La2 34.68(4) 9_676 9_677 ?
N1 La1 La2 94.63(7) 1_556 9_677 ?
N2 La1 La2 157.97(6) 3_576 9_677 ?
N2 La1 La2 42.39(7) 1_556 9_677 ?
N2 La1 La2 91.59(6) . 9_677 ?
N2 La1 La2 99.24(6) 3_577 9_677 ?
Cl1 La1 La2 118.540(4) . 9_677 ?
La1 La1 La2 61.460(4) 9_677 9_677 ?
N1 La1 La2 94.63(7) 9_676 . ?
N1 La1 La2 34.68(4) 1_556 . ?
N2 La1 La2 42.39(7) 3_576 . ?
N2 La1 La2 157.97(6) 1_556 . ?
N2 La1 La2 99.24(6) . . ?
N2 La1 La2 91.59(6) 3_577 . ?
Cl1 La1 La2 118.540(4) . . ?
La1 La1 La2 61.460(4) 9_677 . ?
La2 La1 La2 122.919(8) 9_677 . ?
N1 La1 La2 34.68(4) 9_676 9_676 ?
N1 La1 La2 94.63(7) 1_556 9_676 ?
N2 La1 La2 99.24(6) 3_576 9_676 ?
N2 La1 La2 91.59(6) 1_556 9_676 ?
N2 La1 La2 42.39(7) . 9_676 ?
N2 La1 La2 157.97(6) 3_577 9_676 ?
Cl1 La1 La2 118.540(4) . 9_676 ?
La1 La1 La2 61.460(4) 9_677 9_676 ?
La2 La1 La2 61.192(5) 9_677 9_676 ?
La2 La1 La2 91.452(8) . 9_676 ?
N1 La1 La2 94.63(7) 9_676 1_556 ?
N1 La1 La2 34.68(4) 1_556 1_556 ?
N2 La1 La2 91.59(6) 3_576 1_556 ?
N2 La1 La2 99.24(6) 1_556 1_556 ?
N2 La1 La2 157.97(6) . 1_556 ?
N2 La1 La2 42.39(7) 3_577 1_556 ?
Cl1 La1 La2 118.540(4) . 1_556 ?
La1 La1 La2 61.460(4) 9_677 1_556 ?
La2 La1 La2 91.452(8) 9_677 1_556 ?
La2 La1 La2 61.192(5) . 1_556 ?
La2 La1 La2 122.919(8) 9_676 1_556 ?
N1 La2 N1 114.44(18) 1_556 . ?
N1 La2 N2 76.52(5) 1_556 3_576 ?
N1 La2 N2 76.52(5) . 3_576 ?
N1 La2 N2 76.52(5) 1_556 9_676 ?
N1 La2 N2 76.52(5) . 9_676 ?
N2 La2 N2 129.00(14) 3_576 9_676 ?
N1 La2 Cl1 147.57(4) 1_556 13_566 ?
N1 La2 Cl1 80.12(8) . 13_566 ?
N2 La2 Cl1 79.43(6) 3_576 13_566 ?
N2 La2 Cl1 135.90(4) 9_676 13_566 ?
N1 La2 Cl1 147.57(4) 1_556 5_544 ?
N1 La2 Cl1 80.12(8) . 5_544 ?
N2 La2 Cl1 135.90(4) 3_576 5_544 ?
N2 La2 Cl1 79.43(6) 9_676 5_544 ?
Cl1 La2 Cl1 59.93(5) 13_566 5_544 ?
N1 La2 Cl1 80.12(8) 1_556 13_567 ?
N1 La2 Cl1 147.57(4) . 13_567 ?
N2 La2 Cl1 79.43(6) 3_576 13_567 ?
N2 La2 Cl1 135.90(4) 9_676 13_567 ?
Cl1 La2 Cl1 74.32(2) 13_566 13_567 ?
Cl1 La2 Cl1 103.22(2) 5_544 13_567 ?
N1 La2 Cl1 80.12(8) 1_556 5_545 ?
N1 La2 Cl1 147.57(4) . 5_545 ?
N2 La2 Cl1 135.90(4) 3_576 5_545 ?
N2 La2 Cl1 79.43(6) 9_676 5_545 ?
Cl1 La2 Cl1 103.22(2) 13_566 5_545 ?
Cl1 La2 Cl1 74.32(2) 5_544 5_545 ?
Cl1 La2 Cl1 59.93(5) 13_567 5_545 ?
N1 La2 La1 35.35(5) 1_556 9_677 ?
N1 La2 La1 92.31(8) . 9_677 ?
N2 La2 La1 97.06(6) 3_576 9_677 ?
N2 La2 La1 42.31(5) 9_676 9_677 ?
Cl1 La2 La1 172.196(7) 13_566 9_677 ?
Cl1 La2 La1 120.90(2) 5_544 9_677 ?
Cl1 La2 La1 112.078(10) 13_567 9_677 ?
Cl1 La2 La1 84.180(13) 5_545 9_677 ?
N1 La2 La1 92.31(8) 1_556 9_676 ?
N1 La2 La1 35.35(5) . 9_676 ?
N2 La2 La1 97.06(6) 3_576 9_676 ?
N2 La2 La1 42.31(5) 9_676 9_676 ?
Cl1 La2 La1 112.078(10) 13_566 9_676 ?
Cl1 La2 La1 84.180(13) 5_544 9_676 ?
Cl1 La2 La1 172.196(7) 13_567 9_676 ?
Cl1 La2 La1 120.90(2) 5_545 9_676 ?
La1 La2 La1 61.192(5) 9_677 9_676 ?
N1 La2 La1 35.35(5) 1_556 . ?
N1 La2 La1 92.31(8) . . ?
N2 La2 La1 42.31(5) 3_576 . ?
N2 La2 La1 97.06(6) 9_676 . ?
Cl1 La2 La1 120.90(2) 13_566 . ?
Cl1 La2 La1 172.196(7) 5_544 . ?
Cl1 La2 La1 84.180(13) 13_567 . ?
Cl1 La2 La1 112.078(10) 5_545 . ?
La1 La2 La1 57.081(8) 9_677 . ?
La1 La2 La1 88.548(8) 9_676 . ?
N1 La2 La1 92.31(8) 1_556 1_554 ?
N1 La2 La1 35.35(5) . 1_554 ?
N2 La2 La1 42.31(5) 3_576 1_554 ?
N2 La2 La1 97.06(6) 9_676 1_554 ?
Cl1 La2 La1 84.180(13) 13_566 1_554 ?
Cl1 La2 La1 112.078(10) 5_544 1_554 ?
Cl1 La2 La1 120.90(2) 13_567 1_554 ?
Cl1 La2 La1 172.196(7) 5_545 1_554 ?
La1 La2 La1 88.548(8) 9_677 1_554 ?
La1 La2 La1 57.081(8) 9_676 1_554 ?
La1 La2 La1 61.192(5) . 1_554 ?
La1 Cl1 La2 119.96(2) . 13_566 ?
La1 Cl1 La2 119.96(2) . 5_456 ?
La2 Cl1 La2 120.07(5) 13_566 5_456 ?
La1 Cl1 La2 119.96(2) . 13_567 ?
La2 Cl1 La2 74.32(2) 13_566 13_567 ?
La2 Cl1 La2 76.78(2) 5_456 13_567 ?
La1 Cl1 La2 119.96(2) . 5_455 ?
La2 Cl1 La2 76.78(2) 13_566 5_455 ?
La2 Cl1 La2 74.32(2) 5_456 5_455 ?
La2 Cl1 La2 120.07(5) 13_567 5_455 ?
La2 N1 La2 114.44(18) 1_554 . ?
La2 N1 La1 109.964(15) 1_554 9_676 ?
La2 N1 La1 109.964(15) . 9_676 ?
La2 N1 La1 109.964(15) 1_554 1_554 ?
La2 N1 La1 109.964(15) . 1_554 ?
La1 N1 La1 101.81(16) 9_676 1_554 ?
C1 N2 La1 122.79(11) . 1_554 ?
C1 N2 La1 122.79(11) . . ?
La1 N2 La1 97.68(11) 1_554 . ?
C1 N2 La2 116.6(2) . 9_676 ?
La1 N2 La2 95.30(9) 1_554 9_676 ?
La1 N2 La2 95.30(9) . 9_676 ?
N2 C1 N2 180.000(1) 13_576 . ?
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
La1 N1 2.393(3) 9_676 ?
La1 N1 2.393(3) 1_556 ?
La1 N2 2.628(2) 3_576 ?
La1 N2 2.628(2) 1_556 ?
La1 N2 2.628(2) . ?
La1 N2 2.628(2) 3_577 ?
La1 Cl1 3.2026(16) . ?
La1 La1 3.7142(6) 9_677 ?
La1 La2 3.8870(3) 9_677 ?
La1 La2 3.8870(3) . ?
La1 La2 3.8870(3) 9_676 ?
La1 La2 3.8870(3) 1_556 ?
La2 N1 2.353(2) 1_556 ?
La2 N1 2.353(2) . ?
La2 N2 2.632(3) 3_576 ?
La2 N2 2.632(3) 9_676 ?
La2 Cl1 3.2754(8) 13_566 ?
La2 Cl1 3.2754(8) 5_544 ?
La2 Cl1 3.2754(8) 13_567 ?
La2 Cl1 3.2754(8) 5_545 ?
La2 La1 3.8870(3) 9_677 ?
La2 La1 3.8870(3) 9_676 ?
La2 La1 3.8870(3) 1_554 ?
Cl1 La2 3.2754(8) 13_566 ?
Cl1 La2 3.2754(8) 5_456 ?
Cl1 La2 3.2754(8) 13_567 ?
Cl1 La2 3.2754(8) 5_455 ?
N1 La2 2.353(2) 1_554 ?
N1 La1 2.393(3) 9_676 ?
N1 La1 2.393(3) 1_554 ?
N2 C1 1.233(3) . ?
N2 La1 2.628(2) 1_554 ?
N2 La2 2.632(3) 9_676 ?
C1 N2 1.233(3) 13_576 ?
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 La1 La2 N1 61.46(17) 9_676 . . 1_556 ?
N2 La1 La2 N1 -161.80(16) 3_576 . . 1_556 ?
N2 La1 La2 N1 -1.8(2) 1_556 . . 1_556 ?
N2 La1 La2 N1 137.93(15) . . . 1_556 ?
N2 La1 La2 N1 -62.13(14) 3_577 . . 1_556 ?
Cl1 La1 La2 N1 -140.05(13) . . . 1_556 ?
La1 La1 La2 N1 39.95(13) 9_677 . . 1_556 ?
La2 La1 La2 N1 39.95(13) 9_677 . . 1_556 ?
La2 La1 La2 N1 96.05(13) 9_676 . . 1_556 ?
La2 La1 La2 N1 -31.29(13) 1_556 . . 1_556 ?
N1 La1 La2 N1 -69.751(4) 9_676 . . . ?
N1 La1 La2 N1 -131.21(17) 1_556 . . . ?
N2 La1 La2 N1 66.99(9) 3_576 . . . ?
N2 La1 La2 N1 -133.02(18) 1_556 . . . ?
N2 La1 La2 N1 6.73(8) . . . . ?
N2 La1 La2 N1 166.66(8) 3_577 . . . ?
Cl1 La1 La2 N1 88.74(4) . . . . ?
La1 La1 La2 N1 -91.26(4) 9_677 . . . ?
La2 La1 La2 N1 -91.26(4) 9_677 . . . ?
La2 La1 La2 N1 -35.16(4) 9_676 . . . ?
La2 La1 La2 N1 -162.50(4) 1_556 . . . ?
N1 La1 La2 N2 -136.74(9) 9_676 . . 3_576 ?
N1 La1 La2 N2 161.80(16) 1_556 . . 3_576 ?
N2 La1 La2 N2 159.99(16) 1_556 . . 3_576 ?
N2 La1 La2 N2 -60.27(11) . . . 3_576 ?
N2 La1 La2 N2 99.66(13) 3_577 . . 3_576 ?
Cl1 La1 La2 N2 21.75(8) . . . 3_576 ?
La1 La1 La2 N2 -158.25(8) 9_677 . . 3_576 ?
La2 La1 La2 N2 -158.25(8) 9_677 . . 3_576 ?
La2 La1 La2 N2 -102.16(8) 9_676 . . 3_576 ?
La2 La1 La2 N2 130.51(8) 1_556 . . 3_576 ?
N1 La1 La2 N2 6.95(6) 9_676 . . 9_676 ?
N1 La1 La2 N2 -54.51(13) 1_556 . . 9_676 ?
N2 La1 La2 N2 143.69(12) 3_576 . . 9_676 ?
N2 La1 La2 N2 -56.3(2) 1_556 . . 9_676 ?
N2 La1 La2 N2 83.42(8) . . . 9_676 ?
N2 La1 La2 N2 -116.64(5) 3_577 . . 9_676 ?
Cl1 La1 La2 N2 165.44(4) . . . 9_676 ?
La1 La1 La2 N2 -14.56(4) 9_677 . . 9_676 ?
La2 La1 La2 N2 -14.56(4) 9_677 . . 9_676 ?
La2 La1 La2 N2 41.54(4) 9_676 . . 9_676 ?
La2 La1 La2 N2 -85.80(4) 1_556 . . 9_676 ?
N1 La1 La2 Cl1 -149.61(4) 9_676 . . 13_566 ?
N1 La1 La2 Cl1 148.93(13) 1_556 . . 13_566 ?
N2 La1 La2 Cl1 -12.87(8) 3_576 . . 13_566 ?
N2 La1 La2 Cl1 147.12(18) 1_556 . . 13_566 ?
N2 La1 La2 Cl1 -73.14(7) . . . 13_566 ?
N2 La1 La2 Cl1 86.80(6) 3_577 . . 13_566 ?
Cl1 La1 La2 Cl1 8.882(8) . . . 13_566 ?
La1 La1 La2 Cl1 -171.118(8) 9_677 . . 13_566 ?
La2 La1 La2 Cl1 -171.118(8) 9_677 . . 13_566 ?
La2 La1 La2 Cl1 -115.024(8) 9_676 . . 13_566 ?
La2 La1 La2 Cl1 117.641(6) 1_556 . . 13_566 ?
N1 La1 La2 Cl1 -55.85(18) 9_676 . . 5_544 ?
N1 La1 La2 Cl1 -117.3(2) 1_556 . . 5_544 ?
N2 La1 La2 Cl1 80.90(19) 3_576 . . 5_544 ?
N2 La1 La2 Cl1 -119.1(2) 1_556 . . 5_544 ?
N2 La1 La2 Cl1 20.63(19) . . . 5_544 ?
N2 La1 La2 Cl1 -179.44(19) 3_577 . . 5_544 ?
Cl1 La1 La2 Cl1 102.65(17) . . . 5_544 ?
La1 La1 La2 Cl1 -77.35(17) 9_677 . . 5_544 ?
La2 La1 La2 Cl1 -77.35(17) 9_677 . . 5_544 ?
La2 La1 La2 Cl1 -21.26(17) 9_676 . . 5_544 ?
La2 La1 La2 Cl1 -148.60(17) 1_556 . . 5_544 ?
N1 La1 La2 Cl1 142.57(5) 9_676 . . 13_567 ?
N1 La1 La2 Cl1 81.12(13) 1_556 . . 13_567 ?
N2 La1 La2 Cl1 -80.68(8) 3_576 . . 13_567 ?
N2 La1 La2 Cl1 79.31(18) 1_556 . . 13_567 ?
N2 La1 La2 Cl1 -140.95(8) . . . 13_567 ?
N2 La1 La2 Cl1 18.98(7) 3_577 . . 13_567 ?
Cl1 La1 La2 Cl1 -58.93(2) . . . 13_567 ?
La1 La1 La2 Cl1 121.07(2) 9_677 . . 13_567 ?
La2 La1 La2 Cl1 121.07(2) 9_677 . . 13_567 ?
La2 La1 La2 Cl1 177.16(2) 9_676 . . 13_567 ?
La2 La1 La2 Cl1 49.83(2) 1_556 . . 13_567 ?
N1 La1 La2 Cl1 88.37(5) 9_676 . . 5_545 ?
N1 La1 La2 Cl1 26.91(13) 1_556 . . 5_545 ?
N2 La1 La2 Cl1 -134.89(9) 3_576 . . 5_545 ?
N2 La1 La2 Cl1 25.10(18) 1_556 . . 5_545 ?
N2 La1 La2 Cl1 164.84(8) . . . 5_545 ?
N2 La1 La2 Cl1 -35.22(7) 3_577 . . 5_545 ?
Cl1 La1 La2 Cl1 -113.14(2) . . . 5_545 ?
La1 La1 La2 Cl1 66.86(2) 9_677 . . 5_545 ?
La2 La1 La2 Cl1 66.86(2) 9_677 . . 5_545 ?
La2 La1 La2 Cl1 122.96(2) 9_676 . . 5_545 ?
La2 La1 La2 Cl1 -4.38(2) 1_556 . . 5_545 ?
N1 La1 La2 La1 21.50(4) 9_676 . . 9_677 ?
N1 La1 La2 La1 -39.95(13) 1_556 . . 9_677 ?
N2 La1 La2 La1 158.25(8) 3_576 . . 9_677 ?
N2 La1 La2 La1 -41.76(18) 1_556 . . 9_677 ?
N2 La1 La2 La1 97.98(7) . . . 9_677 ?
N2 La1 La2 La1 -102.09(6) 3_577 . . 9_677 ?
Cl1 La1 La2 La1 180.0 . . . 9_677 ?
La2 La1 La2 La1 0.0 9_677 . . 9_677 ?
La2 La1 La2 La1 56.094(4) 9_676 . . 9_677 ?
La2 La1 La2 La1 -71.241(4) 1_556 . . 9_677 ?
N1 La1 La2 La1 -34.59(4) 9_676 . . 9_676 ?
N1 La1 La2 La1 -96.05(13) 1_556 . . 9_676 ?
N2 La1 La2 La1 102.16(8) 3_576 . . 9_676 ?
N2 La1 La2 La1 -97.86(18) 1_556 . . 9_676 ?
N2 La1 La2 La1 41.89(7) . . . 9_676 ?
N2 La1 La2 La1 -158.18(6) 3_577 . . 9_676 ?
Cl1 La1 La2 La1 123.906(4) . . . 9_676 ?
La1 La1 La2 La1 -56.094(4) 9_677 . . 9_676 ?
La2 La1 La2 La1 -56.094(4) 9_677 . . 9_676 ?
La2 La1 La2 La1 0.0 9_676 . . 9_676 ?
La2 La1 La2 La1 -127.335(6) 1_556 . . 9_676 ?
N1 La1 La2 La1 -87.25(4) 9_676 . . 1_554 ?
N1 La1 La2 La1 -148.71(13) 1_556 . . 1_554 ?
N2 La1 La2 La1 49.49(8) 3_576 . . 1_554 ?
N2 La1 La2 La1 -150.52(18) 1_556 . . 1_554 ?
N2 La1 La2 La1 -10.78(7) . . . 1_554 ?
N2 La1 La2 La1 149.15(6) 3_577 . . 1_554 ?
Cl1 La1 La2 La1 71.241(4) . . . 1_554 ?
La1 La1 La2 La1 -108.759(4) 9_677 . . 1_554 ?
La2 La1 La2 La1 -108.759(4) 9_677 . . 1_554 ?
La2 La1 La2 La1 -52.665(6) 9_676 . . 1_554 ?
La2 La1 La2 La1 180.0 1_556 . . 1_554 ?
N1 La1 Cl1 La2 135.796(4) 9_676 . . 13_566 ?
N1 La1 Cl1 La2 -44.204(4) 1_556 . . 13_566 ?
N2 La1 Cl1 La2 5.97(6) 3_576 . . 13_566 ?
N2 La1 Cl1 La2 -174.03(6) 1_556 . . 13_566 ?
N2 La1 Cl1 La2 85.63(6) . . . 13_566 ?
N2 La1 Cl1 La2 -94.37(6) 3_577 . . 13_566 ?
La1 La1 Cl1 La2 0(66) 9_677 . . 13_566 ?
La2 La1 Cl1 La2 171.203(6) 9_677 . . 13_566 ?
La2 La1 Cl1 La2 -8.797(6) . . . 13_566 ?
La2 La1 Cl1 La2 100.388(5) 9_676 . . 13_566 ?
La2 La1 Cl1 La2 -79.612(5) 1_556 . . 13_566 ?
N1 La1 Cl1 La2 -44.204(5) 9_676 . . 5_456 ?
N1 La1 Cl1 La2 135.796(5) 1_556 . . 5_456 ?
N2 La1 Cl1 La2 -174.03(6) 3_576 . . 5_456 ?
N2 La1 Cl1 La2 5.97(6) 1_556 . . 5_456 ?
N2 La1 Cl1 La2 -94.37(6) . . . 5_456 ?
N2 La1 Cl1 La2 85.63(6) 3_577 . . 5_456 ?
La1 La1 Cl1 La2 0(25) 9_677 . . 5_456 ?
La2 La1 Cl1 La2 -8.797(6) 9_677 . . 5_456 ?
La2 La1 Cl1 La2 171.203(6) . . . 5_456 ?
La2 La1 Cl1 La2 -79.612(5) 9_676 . . 5_456 ?
La2 La1 Cl1 La2 100.388(5) 1_556 . . 5_456 ?
N1 La1 Cl1 La2 -135.796(4) 9_676 . . 13_567 ?
N1 La1 Cl1 La2 44.204(5) 1_556 . . 13_567 ?
N2 La1 Cl1 La2 94.37(6) 3_576 . . 13_567 ?
N2 La1 Cl1 La2 -85.63(6) 1_556 . . 13_567 ?
N2 La1 Cl1 La2 174.03(6) . . . 13_567 ?
N2 La1 Cl1 La2 -5.97(6) 3_577 . . 13_567 ?
La1 La1 Cl1 La2 0(66) 9_677 . . 13_567 ?
La2 La1 Cl1 La2 -100.388(5) 9_677 . . 13_567 ?
La2 La1 Cl1 La2 79.612(5) . . . 13_567 ?
La2 La1 Cl1 La2 -171.203(6) 9_676 . . 13_567 ?
La2 La1 Cl1 La2 8.797(6) 1_556 . . 13_567 ?
N1 La1 Cl1 La2 44.204(4) 9_676 . . 5_455 ?
N1 La1 Cl1 La2 -135.796(4) 1_556 . . 5_455 ?
N2 La1 Cl1 La2 -85.63(6) 3_576 . . 5_455 ?
N2 La1 Cl1 La2 94.37(6) 1_556 . . 5_455 ?
N2 La1 Cl1 La2 -5.97(6) . . . 5_455 ?
N2 La1 Cl1 La2 174.03(6) 3_577 . . 5_455 ?
La1 La1 Cl1 La2 0(25) 9_677 . . 5_455 ?
La2 La1 Cl1 La2 79.612(5) 9_677 . . 5_455 ?
La2 La1 Cl1 La2 -100.388(5) . . . 5_455 ?
La2 La1 Cl1 La2 8.797(6) 9_676 . . 5_455 ?
La2 La1 Cl1 La2 -171.203(6) 1_556 . . 5_455 ?
N1 La2 N1 La2 180.0 1_556 . . 1_554 ?
N2 La2 N1 La2 -111.85(6) 3_576 . . 1_554 ?
N2 La2 N1 La2 111.85(6) 9_676 . . 1_554 ?
Cl1 La2 N1 La2 -30.46(3) 13_566 . . 1_554 ?
Cl1 La2 N1 La2 30.46(3) 5_544 . . 1_554 ?
Cl1 La2 N1 La2 -68.66(13) 13_567 . . 1_554 ?
Cl1 La2 N1 La2 68.66(13) 5_545 . . 1_554 ?
La1 La2 N1 La2 151.434(5) 9_677 . . 1_554 ?
La1 La2 N1 La2 124.34(10) 9_676 . . 1_554 ?
La1 La2 N1 La2 -151.434(5) . . . 1_554 ?
La1 La2 N1 La2 -124.34(10) 1_554 . . 1_554 ?
N1 La2 N1 La1 55.66(10) 1_556 . . 9_676 ?
N2 La2 N1 La1 123.81(13) 3_576 . . 9_676 ?
N2 La2 N1 La1 -12.49(11) 9_676 . . 9_676 ?
Cl1 La2 N1 La1 -154.80(11) 13_566 . . 9_676 ?
Cl1 La2 N1 La1 -93.88(10) 5_544 . . 9_676 ?
Cl1 La2 N1 La1 167.00(3) 13_567 . . 9_676 ?
Cl1 La2 N1 La1 -55.7(2) 5_545 . . 9_676 ?
La1 La2 N1 La1 27.09(10) 9_677 . . 9_676 ?
La1 La2 N1 La1 84.22(10) . . . 9_676 ?
La1 La2 N1 La1 111.3(2) 1_554 . . 9_676 ?
N1 La2 N1 La1 -55.66(10) 1_556 . . 1_554 ?
N2 La2 N1 La1 12.49(11) 3_576 . . 1_554 ?
N2 La2 N1 La1 -123.81(13) 9_676 . . 1_554 ?
Cl1 La2 N1 La1 93.88(10) 13_566 . . 1_554 ?
Cl1 La2 N1 La1 154.80(11) 5_544 . . 1_554 ?
Cl1 La2 N1 La1 55.7(2) 13_567 . . 1_554 ?
Cl1 La2 N1 La1 -167.00(3) 5_545 . . 1_554 ?
La1 La2 N1 La1 -84.22(10) 9_677 . . 1_554 ?
La1 La2 N1 La1 -111.3(2) 9_676 . . 1_554 ?
La1 La2 N1 La1 -27.09(10) . . . 1_554 ?
N1 La1 N2 C1 -115.9(2) 9_676 . . . ?
N1 La1 N2 C1 178.77(19) 1_556 . . . ?
N2 La1 N2 C1 114.84(18) 3_576 . . . ?
N2 La1 N2 C1 -42.5(3) 1_556 . . . ?
N2 La1 N2 C1 34.2(2) 3_577 . . . ?
Cl1 La1 N2 C1 34.2(2) . . . . ?
La1 La1 N2 C1 -145.8(2) 9_677 . . . ?
La2 La1 N2 C1 -84.6(2) 9_677 . . . ?
La2 La1 N2 C1 151.6(2) . . . . ?
La2 La1 N2 C1 -126.4(2) 9_676 . . . ?
La2 La1 N2 C1 177.54(5) 1_556 . . . ?
N1 La1 N2 La1 106.65(11) 9_676 . . 1_554 ?
N1 La1 N2 La1 41.29(15) 1_556 . . 1_554 ?
N2 La1 N2 La1 -22.64(14) 3_576 . . 1_554 ?
N2 La1 N2 La1 180.0 1_556 . . 1_554 ?
N2 La1 N2 La1 -103.30(9) 3_577 . . 1_554 ?
Cl1 La1 N2 La1 -103.30(9) . . . 1_554 ?
La1 La1 N2 La1 76.70(9) 9_677 . . 1_554 ?
La2 La1 N2 La1 137.89(8) 9_677 . . 1_554 ?
La2 La1 N2 La1 14.16(10) . . . 1_554 ?
La2 La1 N2 La1 96.09(11) 9_676 . . 1_554 ?
La2 La1 N2 La1 40.1(2) 1_556 . . 1_554 ?
N1 La1 N2 La2 10.56(8) 9_676 . . 9_676 ?
N1 La1 N2 La2 -54.80(12) 1_556 . . 9_676 ?
N2 La1 N2 La2 -118.73(6) 3_576 . . 9_676 ?
N2 La1 N2 La2 83.91(11) 1_556 . . 9_676 ?
N2 La1 N2 La2 160.61(7) 3_577 . . 9_676 ?
Cl1 La1 N2 La2 160.61(7) . . . 9_676 ?
La1 La1 N2 La2 -19.39(7) 9_677 . . 9_676 ?
La2 La1 N2 La2 41.79(6) 9_677 . . 9_676 ?
La2 La1 N2 La2 -81.94(6) . . . 9_676 ?
La2 La1 N2 La2 -56.0(2) 1_556 . . 9_676 ?
La1 N2 C1 N2 64(100) 1_554 . . 13_576 ?
La1 N2 C1 N2 -64(100) . . . 13_576 ?
La2 N2 C1 N2 180(100) 9_676 . . 13_576 ?
