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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/34/1533465.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_1533465
loop_
_publ_author_name
'Grigor'ev, M.S.'
'Antipin, M.Yu.'
'Krot, N.N.'
'Garnov, A.Yu.'
_publ_section_title
;
 Synthesis and structure of complexes of Np(V) perchlorate and Np(V)
 chloride with urea
;
_journal_name_full               Radiokhimiya
_journal_page_first              415
_journal_page_last               419
_journal_volume                  44
_journal_year                    2002
_chemical_formula_sum            'C4 H16 Cl N8 Np O6'
_chemical_name_systematic        '(Np O2) Cl (O C (N H2)2)4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.79
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.448
_cell_length_b                   12.166
_cell_length_c                   11.596
_cell_volume                     1456.660
_citation_journal_id_ASTM        RADKAU
_cod_data_source_file            Grigorev_RADKAU_2002_648.cif
_cod_data_source_block           C4H16Cl1N8Np1O6
_cod_original_cell_volume        1456.66
_cod_original_formula_sum        'C4 H16 Cl1 N8 Np1 O6'
_cod_database_code               1533465
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-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
-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_occupancy
_atom_site_U_iso_or_equiv
N3 N-3 0.6574 0.8639 0.4245 1 0.0
H2 H+1 0.7281 0.3932 0.7913 1 0.0
H5 H+1 0.7363 0.8419 0.4409 1 0.0
N1 N-3 0.6826 0.4518 0.776 1 0.0
H8 H+1 0.4306 0.911 0.4014 1 0.0
H1 H+1 0.6763 0.4987 0.8304 1 0.0
O2 O-2 0.5538 0.555 0.6425 1 0.0
O1 O-2 0.6584 0.7187 0.8406 1 0.0
N4 N-3 0.4503 0.8701 0.462 1 0.0
Np1 Np+5 0.5 0.7186 0.75 1 0.0
H3 H+1 0.594 0.4043 0.5158 1 0.0
H6 H+1 0.6344 0.9049 0.3644 1 0.0
C2 C+4 0.571 0.8346 0.4918 1 0.0
C1 C+4 0.6211 0.47 0.6671 1 0.0
H7 H+1 0.3918 0.8522 0.5033 1 0.0
O3 O-2 0.6055 0.7743 0.58 1 0.0
H4 H+1 0.679 0.3372 0.6038 1 0.0
N2 N-3 0.6327 0.395 0.5861 1 0.0
Cl1 Cl-1 0.5 0.9528 0.75 1 0.0
