# Supplementary Material (ESI) for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2010

data_global

_journal_coden_Cambridge         1145

loop_
_publ_author_name
'Diogo Volanti'
'Juan Andres'
'Elson Longo'
'Marcelo Orlandi'

_publ_contact_author_name        'Diogo Volanti'
_publ_contact_author_email       DVOLANTI@GMAIL.COM

_publ_section_title              
;
Efficient microwave-assisted hydrothermal synthesis
of CuO sea urchin-like architectures via a mesoscale self-assembly
;

# Attachment '04-10_-CIF_-_CuO_-_J_Mater_Chem_-_Diogo_P._Volanti.cif'

data_16025-ICSD
_database_code_depnum_ccdc_archive 'CCDC 752807'
#TrackingRef '04-10_-CIF_-_CuO_-_J_Mater_Chem_-_Diogo_P._Volanti.cif'

#2007 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States. All rights reserved.
_database_code_ICSD              16025
_audit_creation_date             1986/09/23
_audit_update_record             2000/07/15
_chemical_name_systematic        'Copper Oxide'
_chemical_formula_structural     'Cu O'
_chemical_formula_sum            'Cu1 O1'
_chemical_name_mineral           Tenorite
_chemical_compound_source        
;
Tenorite - synthetic from Na2 C O3 flux at 1173 K for 20 h, slowly
cooled
;
_exptl_crystal_density_meas      6.45
_chemical_formula_weight         79.549
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica B (24,1968-38,1982)' 1970 26 8 15 ACBCAR
_cell_length_a                   4.6837(5)
_cell_length_b                   3.4226(5)
_cell_length_c                   5.1288(6)
_cell_angle_alpha                90.
_cell_angle_beta                 99.54(1)
_cell_angle_gamma                90.
_cell_volume                     81.08
_cell_formula_units_Z            4
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_Int_Tables_number      15
_symmetry_cell_setting           monoclinic
_refine_ls_R_factor_all          0.032
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, -y, z+1/2'
2 '-x, -y, -z'
3 '-x, y, -z+1/2'
4 'x, y, z'
5 'x+1/2, -y+1/2, z+1/2'
6 '-x+1/2, -y+1/2, -z'
7 '-x+1/2, y+1/2, -z+1/2'
8 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cu2+ 2
O2- -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Cu1 Cu2+ 4 c 0.25 0.25 0 1. 0
O1 O2- 4 e 0 0.4184(13) 0.25 1. 0

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu1 Cu2+ 0.00573(16) 0.00786(17) 0.00454(15) 0.00209(38) 0.00134(11)
0.00084(36)
O1 O2- 0.0068(11) 0.0111(13) 0.0056(10) 0 0.0030(9) 0
#End of data_16025-ICSD
#TrackingRef '04-10_-CIF_-_CuO_-_J_Mater_Chem_-_Diogo_P._Volanti.cif'