data_0-TOPOS_GUPBOJ03_rho;4/4/c4;sqc11215;RHO
_database_code_CSD                  GUPBOJ03
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        rho;4/4/c4;sqc11215;RHO
_chemical_name_systematic
;
catena-(bis(\m~2~-2-methylimidazolato)-cadmium(ii) unknown solvate). 
;
_chemical_formula_sum               Cd0
_citation_journal_abbrev            'Chemical Science'
_citation_year                      2012
_citation_journal_volume            3
_citation_page_first                3256
_citation_special_details
;
Experiment details: Im3m polymorph. Experiment details: C6 and C6A di
sordered over two sites with occupancies 0.290:0.210; C5 and C5Adisor
dered over two sites with occupancies 0.580:0.420. The solvent molecu
leswere not modelled.. File: search24.cif. 
CENTAT: Cd1
SIMPLIG: Sc
=C4H8N2 Ti=C7H16N2| 
;
loop_
_publ_author_name
'Karagiaridi O.'
'Bury W.'
'Sarjeant A.A.'
'Stern C.L.'
'Farha O.K.'
'Hupp J.T.'
_cell_length_a                      30.5539
_cell_length_b                      30.5539
_cell_length_c                      30.5539
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        28523.31
_cell_formula_units_Z               48
_symmetry_space_group_name_H-M      'I m 3 m'
_symmetry_Int_Tables_number         229
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 -y,-x,-z
14 y,x,-z
15 y,-x,z
16 -y,x,z
17 -x,-z,-y
18 -z,-y,-x
19 x,z,-y
20 -z,y,x
21 x,-z,y
22 z,y,-x
23 -x,z,y
24 z,-y,x
25 -x,-y,-z
26 x,y,-z
27 -x,y,z
28 x,-y,z
29 -z,-x,-y
30 -y,-z,-x
31 z,x,-y
32 y,-z,x
33 -z,x,y
34 y,z,-x
35 z,-x,y
36 -y,z,x
37 y,x,z
38 -y,-x,z
39 -y,x,-z
40 y,-x,-z
41 x,z,y
42 z,y,x
43 -x,-z,y
44 z,-y,-x
45 -x,z,-y
46 -z,-y,x
47 x,-z,-y
48 -z,y,-x
49 1/2+x,1/2+y,1/2+z
50 1/2-x,1/2-y,1/2+z
51 1/2+x,1/2-y,1/2-z
52 1/2-x,1/2+y,1/2-z
53 1/2+z,1/2+x,1/2+y
54 1/2+y,1/2+z,1/2+x
55 1/2-z,1/2-x,1/2+y
56 1/2-y,1/2+z,1/2-x
57 1/2+z,1/2-x,1/2-y
58 1/2-y,1/2-z,1/2+x
59 1/2-z,1/2+x,1/2-y
60 1/2+y,1/2-z,1/2-x
61 1/2-y,1/2-x,1/2-z
62 1/2+y,1/2+x,1/2-z
63 1/2+y,1/2-x,1/2+z
64 1/2-y,1/2+x,1/2+z
65 1/2-x,1/2-z,1/2-y
66 1/2-z,1/2-y,1/2-x
67 1/2+x,1/2+z,1/2-y
68 1/2-z,1/2+y,1/2+x
69 1/2+x,1/2-z,1/2+y
70 1/2+z,1/2+y,1/2-x
71 1/2-x,1/2+z,1/2+y
72 1/2+z,1/2-y,1/2+x
73 1/2-x,1/2-y,1/2-z
74 1/2+x,1/2+y,1/2-z
75 1/2-x,1/2+y,1/2+z
76 1/2+x,1/2-y,1/2+z
77 1/2-z,1/2-x,1/2-y
78 1/2-y,1/2-z,1/2-x
79 1/2+z,1/2+x,1/2-y
80 1/2+y,1/2-z,1/2+x
81 1/2-z,1/2+x,1/2+y
82 1/2+y,1/2+z,1/2-x
83 1/2+z,1/2-x,1/2+y
84 1/2-y,1/2+z,1/2+x
85 1/2+y,1/2+x,1/2+z
86 1/2-y,1/2-x,1/2+z
87 1/2-y,1/2+x,1/2-z
88 1/2+y,1/2-x,1/2-z
89 1/2+x,1/2+z,1/2+y
90 1/2+z,1/2+y,1/2+x
91 1/2-x,1/2-z,1/2+y
92 1/2+z,1/2-y,1/2-x
93 1/2-x,1/2+z,1/2-y
94 1/2-z,1/2-y,1/2+x
95 1/2+x,1/2-z,1/2-y
96 1/2-z,1/2+y,1/2-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd1 Cd 48 0.75000 0.60413 0.10413 1.0000
loop_
_topol_link.node_label_1
_topol_link.node_label_2
_topol_link.distance
_topol_link.site_symmetry_symop_1
_topol_link.site_symmetry_translation_1_x
_topol_link.site_symmetry_translation_1_y
_topol_link.site_symmetry_translation_1_z
_topol_link.site_symmetry_symop_2
_topol_link.site_symmetry_translation_2_x
_topol_link.site_symmetry_translation_2_y
_topol_link.site_symmetry_translation_2_z
_topol_link.type
_topol_link.multiplicity
Cd1 Cd1 6.3030 1 0 0 0 37 0 0 0 v 48
Cd1 Cd1 6.3632 1 0 0 0 26 0 0 0 v 48
#End of data_0-TOPOS_GUPBOJ03_rho;4/4/c4;sqc11215;RHO