# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               J.Mater.Chem.
_journal_coden_cambridge         1145
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Qi-Yu Zheng'
_publ_contact_author_email       zhengqy@iccas.ac.cn
loop_
_publ_author_name
'Jin-Tao Yu'
'Junliang Sun'
'Zhe Chen'
'Zhi-Tang Huang'
'Qi-Yu Zheng'

data_eclipsed
_database_code_depnum_ccdc_archive 'CCDC 848328'
#TrackingRef '- eclipsed.cif'

_audit_creation_date             2011-4-12
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   P-3M1
_symmetry_Int_Tables_number      164
_symmetry_cell_setting           trigonal
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
x-y,-y,-z
-x,-x+y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
-x+y,y,z
x,x-y,z
_cell_length_a                   25.0645
_cell_length_b                   25.0645
_cell_length_c                   4.2989
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
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
C1 C 0.55638 0.38826 1.20405 0.02000 Uiso 1.00
C2 C 0.54748 0.34038 -3.98469 0.02000 Uiso 1.00
C3 C 0.59625 0.34775 1.82702 0.02000 Uiso 1.00
C4 C 0.46388 0.44021 1.89250 0.02000 Uiso 1.00
C5 C 0.58635 0.29317 0.63838 0.02000 Uiso 1.00
C6 C 0.52400 0.47600 0.78145 0.02000 Uiso 1.00
B1 B 0.54943 0.45057 0.53624 0.02000 Uiso 1.00
O1 O 0.51685 0.39176 1.40862 0.02000 Uiso 1.00
H1 H 0.50315 0.29735 -3.98872 0.02400 Uiso 1.00
H2 H 0.53847 0.26923 0.55038 0.02400 Uiso 1.00
H3 H 0.61512 0.30756 0.42729 0.02400 Uiso 1.00
H4 H 0.43562 0.39304 1.80528 0.02400 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
O8 C2 1.360 . S
O8 B16 1.392 1_556 S
C2 C5 1.371 . D
C2 C2 1.388 10_665 S
C5 C2 1.371 1_550 D
C5 H11 1.095 . S
C5 C9 1.399 . S
C9 C9 1.404 10_665 D
C9 C6 1.500 1_556 S
C17 H18 1.097 . S
C17 C14 1.397 1_556 A
C17 C17 1.382 4_559 A
C6 H12 1.102 . S
C6 H13 1.106 . S
C6 C9 1.500 1_554 S
C6 C9 1.500 12_554 S
C14 B16 1.527 . S
C14 C17 1.397 1_554 A
C14 C17 1.397 10_664 A
B16 O8 1.392 1_554 S
B16 O8 1.392 10_664 S

# Attachment '- stagger.cif'

data_stagger1
_database_code_depnum_ccdc_archive 'CCDC 848329'
#TrackingRef '- stagger.cif'

_audit_creation_date             2011-4-21
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   P63MC
_symmetry_Int_Tables_number      186
_symmetry_cell_setting           hexagonal
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,z+1/2
y,-x+y,z+1/2
x-y,x,z+1/2
-y,-x,z
-x+y,y,z
x,x-y,z
y,x,z+1/2
x-y,-y,z+1/2
-x,-x+y,z+1/2
_cell_length_a                   25.4379
_cell_length_b                   25.4379
_cell_length_c                   9.7236
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
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
O1 O 0.27225 0.45454 0.03215 0.02000 Uiso 1.00
O2 O 0.15085 0.21175 -0.43566 0.02000 Uiso 1.00
C3 C 0.31869 0.58217 -0.21118 0.02000 Uiso 1.00
C4 C 0.27686 0.49929 -0.05331 0.02000 Uiso 1.00
C5 C 0.32497 0.53971 -0.13195 0.02000 Uiso 1.00
C6 C 0.22330 0.35220 0.24082 0.02000 Uiso 1.00
C7 C 0.11929 0.12792 -0.26826 0.02000 Uiso 1.00
C8 C 0.11157 0.16867 -0.34564 0.02000 Uiso 1.00
C9 C 0.20089 0.30729 0.34000 0.02000 Uiso 1.00
C10 C 0.07005 0.08479 -0.19122 0.02000 Uiso 1.00
H11 H 0.36743 0.53862 -0.13244 0.00000 Uiso 1.00
H12 H 0.26955 0.37038 0.20154 0.00000 Uiso 1.00
H13 H 0.16311 0.12944 -0.26721 0.00000 Uiso 1.00
H14 H 0.22896 0.28921 0.38004 0.00000 Uiso 1.00
C15 C 0.14234 0.28467 0.39244 0.02000 Uiso 1.00
C16 C 0.18788 0.37577 0.19050 0.02000 Uiso 1.00
B17 B 0.11847 0.23694 -0.49340 0.02000 Uiso 1.00
B18 B 0.21368 0.42735 0.08523 0.02000 Uiso 1.00
C19 C 0.37323 0.62677 -0.29264 0.02000 Uiso 1.00
H20 H 0.39695 0.60305 0.67004 0.00000 Uiso 1.00
H21 H 0.35913 0.64087 0.61360 0.00000 Uiso 1.00
C22 C 0.07955 0.03977 0.88922 0.00000 Uiso 1.00
H23 H 0.05157 0.02578 0.98335 0.00000 Uiso 1.00
H24 H 0.12701 0.06350 0.92602 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
O1 C4 1.366 . S
O1 B18 1.391 . S
O2 C8 1.368 . S
O2 B17 1.390 . S
C3 C5 1.399 . D
C3 C19 1.505 . S
C3 C3 1.404 8 S
C4 C5 1.372 . S
C4 C4 1.385 8 S
C5 H11 1.094 . S
C6 C9 1.382 . A
C6 C16 1.397 . S
C6 H12 1.095 . S
C7 C8 1.372 . D
C7 C10 1.400 . S
C7 H13 1.096 . S
C8 C8 1.386 8 S
C9 H14 1.096 . S
C9 C15 1.397 . A
C10 C10 1.407 8 S
C10 C22 1.503 1_554 D
C15 C9 1.397 8 A
C15 B17 1.529 1_556 S
C16 C6 1.397 8 S
C16 B18 1.529 . S
B17 O2 1.390 8 S
B17 C15 1.529 1_554 S
B18 O1 1.391 8 S
C19 C3 1.505 7_665 S
C19 H20 1.106 1_554 S
C19 H21 1.103 1_554 S
H20 C19 1.106 1_556 S
H21 C19 1.103 1_556 S
C22 H23 1.103 . S
C22 H24 1.105 . S
C22 C10 1.503 1_556 D
C22 C10 1.503 9_556 D