#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:45:32 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179076 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/38/4303824.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_4303824
loop_
_publ_author_name
'Daniel M. Wells'
'Geng Bang Jin'
'S. Skanthakumar'
'Richard G. Haire'
'L. Soderholm'
'James A. Ibers'
_publ_contact_author_address
;
Department of Chemistry
Northwestern University
Evanston, IL 60208-3113
;
_publ_contact_author_email       ibers@chem.northwestern.edu
_publ_contact_author_fax         '1 847 491 3976'
_publ_contact_author_name        'James A. Ibers'
_publ_contact_author_phone       '1 847 491 5449'
_publ_section_title
;
Quaternary Neptunium Compounds: Syntheses and Characterization of KCuNpS3,
RbCuNpS3, CsCuNpS3, KAgNpS3, and CsAgNpS3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11513
_journal_page_last               11517
_journal_paper_doi               10.1021/ic901229d
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'Cs Cu Np S3'
_chemical_formula_sum            'Cs Cu Np S3'
_chemical_formula_weight         529.63
_chemical_name_common            'Cesium copper neptunium trisulfide'
_chemical_name_systematic
;
 Cesium copper neptunium trisulfide
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_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                   3.9644(8)
_cell_length_b                   15.162(3)
_cell_length_c                   10.203(2)
_cell_measurement_reflns_used    973
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.67
_cell_measurement_theta_min      4.82
_cell_volume                     613.3(2)
_computing_cell_refinement       'Bruker SAINT (Bruker, 2006)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2006)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2006)'
_computing_molecular_graphics    'CrystalMaker for Windows v2.0.6 (2008)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.1169
_diffrn_reflns_av_sigmaI/netI    0.0809
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5053
_diffrn_reflns_theta_full        33.58
_diffrn_reflns_theta_max         33.58
_diffrn_reflns_theta_min         3.35
_exptl_absorpt_coefficient_mu    27.038
_exptl_absorpt_correction_T_max  0.5521
_exptl_absorpt_correction_T_min  0.2947
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face-indexed (SADABS, Sheldrick, 2008)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.736
_exptl_crystal_description       rect.
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.174
_refine_diff_density_min         -2.871
_refine_diff_density_rms         0.691
_refine_ls_extinction_coef       0.0024(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_reflns         683
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0850
_refine_ls_R_factor_gt           0.0413
_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
 [1.00000]/
   [σ²(Fo²)+(0.0560Fo²)²]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.1070
_reflns_number_gt                454
_reflns_number_total             683
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901229d_si_001_4.cif
_cod_data_source_block           CsCu
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_database_code               4303824
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-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
Cs1 Cs 0.0000 0.74072(9) 0.2500 0.0140(3) Uani 1 4 d S . .
Cu1 Cu 0.0000 0.46559(18) 0.2500 0.0121(5) Uani 1 4 d S . .
Np1 Np 0.0000 0.0000 0.0000 0.0098(2) Uani 1 4 d S . .
S1 S 0.0000 0.0545(4) 0.2500 0.0121(10) Uani 1 4 d S . .
S2 S 0.0000 0.3845(2) 0.0568(3) 0.0116(7) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Np Np -11.4937 4.1493 '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
S1 Cs1 S1 70.15(11) 5_455 5 ?
S1 Cs1 S2 145.54(6) 5_455 14_556 ?
S1 Cs1 S2 100.48(7) 5 14_556 ?
S1 Cs1 S2 100.48(7) 5_455 14_456 ?
S1 Cs1 S2 145.54(6) 5 14_456 ?
S2 Cs1 S2 68.00(7) 14_556 14_456 ?
S1 Cs1 S2 145.54(6) 5_455 5 ?
S1 Cs1 S2 100.48(7) 5 5 ?
S2 Cs1 S2 67.58(11) 14_556 5 ?
S2 Cs1 S2 104.12(11) 14_456 5 ?
S1 Cs1 S2 100.48(7) 5_455 5_455 ?
S1 Cs1 S2 145.54(6) 5 5_455 ?
S2 Cs1 S2 104.12(11) 14_556 5_455 ?
S2 Cs1 S2 67.58(11) 14_456 5_455 ?
S2 Cs1 S2 68.00(7) 5 5_455 ?
S1 Cs1 S2 64.89(5) 5_455 9_565 ?
S1 Cs1 S2 64.89(5) 5 9_565 ?
S2 Cs1 S2 142.60(6) 14_556 9_565 ?
S2 Cs1 S2 142.60(6) 14_456 9_565 ?
S2 Cs1 S2 80.98(8) 5 9_565 ?
S2 Cs1 S2 80.98(8) 5_455 9_565 ?
S1 Cs1 S2 64.89(5) 5_455 2_565 ?
S1 Cs1 S2 64.89(5) 5 2_565 ?
S2 Cs1 S2 80.98(8) 14_556 2_565 ?
S2 Cs1 S2 80.98(8) 14_456 2_565 ?
S2 Cs1 S2 142.60(6) 5 2_565 ?
S2 Cs1 S2 142.60(6) 5_455 2_565 ?
S2 Cs1 S2 117.54(12) 9_565 2_565 ?
S1 Cs1 Cu1 175.10(6) 5_455 5 ?
S1 Cs1 Cu1 114.75(6) 5 5 ?
S2 Cs1 Cu1 35.65(6) 14_556 5 ?
S2 Cs1 Cu1 75.49(5) 14_456 5 ?
S2 Cs1 Cu1 35.65(6) 5 5 ?
S2 Cs1 Cu1 75.49(5) 5_455 5 ?
S2 Cs1 Cu1 116.63(5) 9_565 5 ?
S2 Cs1 Cu1 116.63(5) 2_565 5 ?
S1 Cs1 Cu1 114.75(6) 5_455 5_455 ?
S1 Cs1 Cu1 175.10(6) 5 5_455 ?
S2 Cs1 Cu1 75.49(5) 14_556 5_455 ?
S2 Cs1 Cu1 35.65(6) 14_456 5_455 ?
S2 Cs1 Cu1 75.49(5) 5 5_455 ?
S2 Cs1 Cu1 35.65(6) 5_455 5_455 ?
S2 Cs1 Cu1 116.63(5) 9_565 5_455 ?
S2 Cs1 Cu1 116.63(5) 2_565 5_455 ?
Cu1 Cs1 Cu1 60.35(5) 5 5_455 ?
S1 Cs1 Cs1 125.07(6) 5_455 1_655 ?
S1 Cs1 Cs1 54.93(6) 5 1_655 ?
S2 Cs1 Cs1 56.00(3) 14_556 1_655 ?
S2 Cs1 Cs1 124.00(3) 14_456 1_655 ?
S2 Cs1 Cs1 56.00(3) 5 1_655 ?
S2 Cs1 Cs1 124.00(3) 5_455 1_655 ?
S2 Cs1 Cs1 90.0 9_565 1_655 ?
S2 Cs1 Cs1 90.0 2_565 1_655 ?
Cu1 Cs1 Cs1 59.83(2) 5 1_655 ?
Cu1 Cs1 Cs1 120.17(2) 5_455 1_655 ?
S1 Cs1 Cs1 54.93(6) 5_455 1_455 ?
S1 Cs1 Cs1 125.07(6) 5 1_455 ?
S2 Cs1 Cs1 124.00(3) 14_556 1_455 ?
S2 Cs1 Cs1 56.00(3) 14_456 1_455 ?
S2 Cs1 Cs1 124.00(3) 5 1_455 ?
S2 Cs1 Cs1 56.00(3) 5_455 1_455 ?
S2 Cs1 Cs1 90.0 9_565 1_455 ?
S2 Cs1 Cs1 90.0 2_565 1_455 ?
Cu1 Cs1 Cs1 120.17(2) 5 1_455 ?
Cu1 Cs1 Cs1 59.83(2) 5_455 1_455 ?
Cs1 Cs1 Cs1 180.0 1_655 1_455 ?
S2 Cu1 S2 116.1(2) . 10_556 y
S2 Cu1 S1 107.32(7) . 5 y
S2 Cu1 S1 107.32(7) 10_556 5 ?
S2 Cu1 S1 107.32(7) . 5_455 ?
S2 Cu1 S1 107.32(7) 10_556 5_455 ?
S1 Cu1 S1 111.6(2) 5 5_455 y
S2 Cu1 Np1 138.22(7) . 6 ?
S2 Cu1 Np1 54.76(6) 10_556 6 ?
S1 Cu1 Np1 53.81(3) 5 6 ?
S1 Cu1 Np1 114.28(8) 5_455 6 ?
S2 Cu1 Np1 54.76(6) . 5_455 ?
S2 Cu1 Np1 138.22(7) 10_556 5_455 ?
S1 Cu1 Np1 114.28(8) 5 5_455 ?
S1 Cu1 Np1 53.81(3) 5_455 5_455 ?
Np1 Cu1 Np1 161.65(10) 6 5_455 ?
S2 Cu1 Np1 138.22(7) . 6_455 ?
S2 Cu1 Np1 54.76(6) 10_556 6_455 ?
S1 Cu1 Np1 114.28(8) 5 6_455 ?
S1 Cu1 Np1 53.81(3) 5_455 6_455 ?
Np1 Cu1 Np1 74.566(19) 6 6_455 ?
Np1 Cu1 Np1 102.43(2) 5_455 6_455 ?
S2 Cu1 Np1 54.76(6) . 5 ?
S2 Cu1 Np1 138.22(7) 10_556 5 ?
S1 Cu1 Np1 53.81(3) 5 5 ?
S1 Cu1 Np1 114.28(8) 5_455 5 ?
Np1 Cu1 Np1 102.43(2) 6 5 ?
Np1 Cu1 Np1 74.566(19) 5_455 5 ?
Np1 Cu1 Np1 161.65(10) 6_455 5 ?
S2 Cu1 Cs1 62.77(9) . 5_445 ?
S2 Cu1 Cs1 62.77(9) 10_556 5_445 ?
S1 Cu1 Cs1 154.39(13) 5 5_445 ?
S1 Cu1 Cs1 94.05(12) 5_455 5_445 ?
Np1 Cu1 Cs1 116.25(5) 6 5_445 ?
Np1 Cu1 Cs1 80.41(3) 5_455 5_445 ?
Np1 Cu1 Cs1 80.41(3) 6_455 5_445 ?
Np1 Cu1 Cs1 116.25(5) 5 5_445 ?
S2 Cu1 Cs1 62.77(9) . 5_545 ?
S2 Cu1 Cs1 62.77(9) 10_556 5_545 ?
S1 Cu1 Cs1 94.05(12) 5 5_545 ?
S1 Cu1 Cs1 154.39(13) 5_455 5_545 ?
Np1 Cu1 Cs1 80.41(3) 6 5_545 ?
Np1 Cu1 Cs1 116.25(5) 5_455 5_545 ?
Np1 Cu1 Cs1 116.25(5) 6_455 5_545 ?
Np1 Cu1 Cs1 80.41(3) 5 5_545 ?
Cs1 Cu1 Cs1 60.35(5) 5_445 5_545 ?
S2 Cu1 Cs1 121.96(11) . . ?
S2 Cu1 Cs1 121.96(11) 10_556 . ?
S1 Cu1 Cs1 55.78(12) 5 . ?
S1 Cu1 Cs1 55.78(12) 5_455 . ?
Np1 Cu1 Cs1 80.83(5) 6 . ?
Np1 Cu1 Cs1 80.83(5) 5_455 . ?
Np1 Cu1 Cs1 80.83(5) 6_455 . ?
Np1 Cu1 Cs1 80.83(5) 5 . ?
Cs1 Cu1 Cs1 149.83(2) 5_445 . ?
Cs1 Cu1 Cs1 149.83(2) 5_545 . ?
S1 Np1 S1 180.0 9 . y
S1 Np1 S2 89.77(11) 9 13 y
S1 Np1 S2 90.23(11) . 13 ?
S1 Np1 S2 90.23(11) 9 5_445 ?
S1 Np1 S2 89.77(11) . 5_445 ?
S2 Np1 S2 180.00(19) 13 5_445 y
S1 Np1 S2 89.77(11) 9 13_455 ?
S1 Np1 S2 90.23(11) . 13_455 ?
S2 Np1 S2 94.11(12) 13 13_455 ?
S2 Np1 S2 85.89(12) 5_445 13_455 ?
S1 Np1 S2 90.23(11) 9 5_545 ?
S1 Np1 S2 89.77(11) . 5_545 ?
S2 Np1 S2 85.89(12) 13 5_545 ?
S2 Np1 S2 94.11(12) 5_445 5_545 ?
S2 Np1 S2 180.00(19) 13_455 5_545 ?
S1 Np1 Cu1 46.18(7) 9 13_455 ?
S1 Np1 Cu1 133.82(7) . 13_455 ?
S2 Np1 Cu1 99.99(7) 13 13_455 ?
S2 Np1 Cu1 80.01(7) 5_445 13_455 ?
S2 Np1 Cu1 44.50(8) 13_455 13_455 ?
S2 Np1 Cu1 135.50(8) 5_545 13_455 ?
S1 Np1 Cu1 133.82(7) 9 5_545 ?
S1 Np1 Cu1 46.18(7) . 5_545 ?
S2 Np1 Cu1 80.01(7) 13 5_545 ?
S2 Np1 Cu1 99.99(7) 5_445 5_545 ?
S2 Np1 Cu1 135.50(8) 13_455 5_545 ?
S2 Np1 Cu1 44.50(8) 5_545 5_545 ?
Cu1 Np1 Cu1 180.00(10) 13_455 5_545 ?
S1 Np1 Cu1 46.18(7) 9 13 ?
S1 Np1 Cu1 133.82(7) . 13 ?
S2 Np1 Cu1 44.50(8) 13 13 ?
S2 Np1 Cu1 135.50(8) 5_445 13 ?
S2 Np1 Cu1 99.99(7) 13_455 13 ?
S2 Np1 Cu1 80.01(7) 5_545 13 ?
Cu1 Np1 Cu1 74.566(19) 13_455 13 ?
Cu1 Np1 Cu1 105.434(19) 5_545 13 ?
S1 Np1 Cu1 133.82(7) 9 5_445 ?
S1 Np1 Cu1 46.18(7) . 5_445 ?
S2 Np1 Cu1 135.50(8) 13 5_445 ?
S2 Np1 Cu1 44.50(8) 5_445 5_445 ?
S2 Np1 Cu1 80.01(7) 13_455 5_445 ?
S2 Np1 Cu1 99.99(7) 5_545 5_445 ?
Cu1 Np1 Cu1 105.434(19) 13_455 5_445 ?
Cu1 Np1 Cu1 74.566(19) 5_545 5_445 ?
Cu1 Np1 Cu1 180.00(10) 13 5_445 ?
S1 Np1 Np1 90.0 9 1_655 ?
S1 Np1 Np1 90.0 . 1_655 ?
S2 Np1 Np1 42.95(6) 13 1_655 ?
S2 Np1 Np1 137.05(6) 5_445 1_655 ?
S2 Np1 Np1 137.05(6) 13_455 1_655 ?
S2 Np1 Np1 42.95(6) 5_545 1_655 ?
Cu1 Np1 Np1 127.283(10) 13_455 1_655 ?
Cu1 Np1 Np1 52.717(10) 5_545 1_655 ?
Cu1 Np1 Np1 52.717(10) 13 1_655 ?
Cu1 Np1 Np1 127.283(10) 5_445 1_655 ?
S1 Np1 Np1 90.0 9 1_455 ?
S1 Np1 Np1 90.0 . 1_455 ?
S2 Np1 Np1 137.05(6) 13 1_455 ?
S2 Np1 Np1 42.95(6) 5_445 1_455 ?
S2 Np1 Np1 42.95(6) 13_455 1_455 ?
S2 Np1 Np1 137.05(6) 5_545 1_455 ?
Cu1 Np1 Np1 52.717(10) 13_455 1_455 ?
Cu1 Np1 Np1 127.283(10) 5_545 1_455 ?
Cu1 Np1 Np1 127.283(10) 13 1_455 ?
Cu1 Np1 Np1 52.717(10) 5_445 1_455 ?
Np1 Np1 Np1 180.0 1_655 1_455 ?
Cu1 S1 Cu1 111.6(2) 5_445 5_545 ?
Cu1 S1 Np1 80.02(9) 5_445 . ?
Cu1 S1 Np1 80.02(9) 5_545 . ?
Cu1 S1 Np1 80.02(9) 5_445 2 ?
Cu1 S1 Np1 80.02(9) 5_545 2 ?
Np1 S1 Np1 144.1(2) . 2 ?
Cu1 S1 Cs1 159.29(17) 5_445 5_545 ?
Cu1 S1 Cs1 89.15(8) 5_545 5_545 ?
Np1 S1 Cs1 104.61(8) . 5_545 ?
Np1 S1 Cs1 104.61(8) 2 5_545 ?
Cu1 S1 Cs1 89.15(8) 5_445 5_445 ?
Cu1 S1 Cs1 159.29(17) 5_545 5_445 ?
Np1 S1 Cs1 104.61(8) . 5_445 ?
Np1 S1 Cs1 104.61(8) 2 5_445 ?
Cs1 S1 Cs1 70.15(11) 5_545 5_445 ?
Cu1 S2 Np1 80.74(10) . 5 ?
Cu1 S2 Np1 80.74(10) . 5_455 ?
Np1 S2 Np1 94.11(12) 5 5_455 ?
Cu1 S2 Cs1 81.58(10) . 5_445 ?
Np1 S2 Cs1 157.82(12) 5 5_445 ?
Np1 S2 Cs1 96.16(4) 5_455 5_445 ?
Cu1 S2 Cs1 81.58(10) . 5_545 ?
Np1 S2 Cs1 96.16(4) 5 5_545 ?
Np1 S2 Cs1 157.82(12) 5_455 5_545 ?
Cs1 S2 Cs1 68.00(7) 5_445 5_545 ?
Cu1 S2 Cs1 179.27(16) . 9_565 ?
Np1 S2 Cs1 98.77(9) 5 9_565 ?
Np1 S2 Cs1 98.77(9) 5_455 9_565 ?
Cs1 S2 Cs1 99.02(8) 5_445 9_565 ?
Cs1 S2 Cs1 99.02(8) 5_545 9_565 ?
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
Cs1 S1 3.450(5) 5_455 y
Cs1 S1 3.450(5) 5 ?
Cs1 S2 3.545(3) 14_556 y
Cs1 S2 3.545(3) 14_456 ?
Cs1 S2 3.545(3) 5 ?
Cs1 S2 3.545(3) 5_455 ?
Cs1 S2 3.661(4) 9_565 y
Cs1 S2 3.661(4) 2_565 ?
Cs1 Cu1 3.944(3) 5 ?
Cs1 Cu1 3.944(3) 5_455 ?
Cs1 Cs1 3.9644(8) 1_655 ?
Cs1 Cs1 3.9644(8) 1_455 ?
Cu1 S2 2.324(4) . y
Cu1 S2 2.324(4) 10_556 ?
Cu1 S1 2.397(4) 5 y
Cu1 S1 2.397(4) 5_455 ?
Cu1 Np1 3.2723(6) 6 ?
Cu1 Np1 3.2723(6) 5_455 ?
Cu1 Np1 3.2723(6) 6_455 ?
Cu1 Np1 3.2723(6) 5 ?
Cu1 Cs1 3.944(3) 5_445 ?
Cu1 Cs1 3.944(3) 5_545 ?
Np1 S1 2.6814(18) 9 y
Np1 S1 2.6814(18) . ?
Np1 S2 2.708(3) 13 y
Np1 S2 2.708(3) 5_445 ?
Np1 S2 2.708(3) 13_455 ?
Np1 S2 2.708(3) 5_545 ?
Np1 Cu1 3.2723(6) 13_455 ?
Np1 Cu1 3.2723(6) 5_545 ?
Np1 Cu1 3.2723(6) 13 ?
Np1 Cu1 3.2723(6) 5_445 ?
Np1 Np1 3.9644(8) 1_655 ?
Np1 Np1 3.9644(8) 1_455 ?
S1 Cu1 2.397(4) 5_445 ?
S1 Cu1 2.397(4) 5_545 ?
S1 Np1 2.6814(18) 2 ?
S1 Cs1 3.450(5) 5_545 ?
S1 Cs1 3.450(5) 5_445 ?
S2 Np1 2.708(3) 5 ?
S2 Np1 2.708(3) 5_455 ?
S2 Cs1 3.545(3) 5_445 ?
S2 Cs1 3.545(3) 5_545 ?
S2 Cs1 3.661(4) 9_565 ?
