#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003665.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_2003665
_journal_name_full   'Acta Crystallographica'
_journal_year        1995
_journal_volume    	C51
_journal_page_first    	1414
_journal_page_last    	1416
_publ_section_title    	
;
1,1'-Dimethyl-4,5'-dinitro-2,2'-biimidazole, C~8~H~8~N~6~O~4~
;
_chemical_formula_moiety    	'C8 H8 N6 O4'
_chemical_formula_sum    	'C8 H8 N6 O4'
_chemical_formula_weight    	252.19
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,1/2-y,1/2+z'
    '-x,-y,-z'
    '-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	10.809(2)
_cell_length_b    	9.581(2)
_cell_length_c    	10.986(2)
_cell_angle_alpha    	90.
_cell_angle_beta    	109.54(1)
_cell_angle_gamma    	90.
_cell_volume    	1072.1(6)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.562
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	5.5
_cell_measurement_theta_max    	13.2
_exptl_absorpt_coefficient_mu    	0.12
_cell_measurement_temperature    	293
_exptl_crystal_description    	'prismatic'
_exptl_crystal_size_max    	0.30
_exptl_crystal_size_mid    	0.25
_exptl_crystal_size_min    	0.15
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'amber'
_chemical_compound_source    	
;Single crystals were obtained by slow evaporation of an
aqueous ethanol solution.
;
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'empirical, \y scan (Walker & Stuart, 1983)'
_exptl_absorpt_correction_T_min    	0.986
_exptl_absorpt_correction_T_max    	1.039
_diffrn_reflns_number    	3439
_reflns_number_total    	3135
_reflns_number_observed    	876
_reflns_observed_criterion    	I>3\s(I)
_diffrn_reflns_av_R_equivalents    	0.030
_diffrn_reflns_theta_max    	30
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	15
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	13
_diffrn_reflns_limit_l_min    	-15
_diffrn_reflns_limit_l_max    	15
_diffrn_standards_number    	2
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	120
_diffrn_standards_decay_%    	none
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.0515
_refine_ls_wR_factor_obs    	0.0524
_refine_ls_goodness_of_fit_obs    	1.11
_refine_ls_number_reflns    	876
_refine_ls_number_parameters    	164
_refine_ls_hydrogen_treatment    	'noref'
_refine_ls_weighting_scheme    	'w = 1/[\s^2^(F)]'
_refine_ls_shift/esd_max    	0.001
_refine_diff_density_max    	0.18
_refine_diff_density_min    	-0.23
_refine_ls_extinction_method    	'Zachariasen (1963)'
_refine_ls_extinction_coef    	9.84E-8
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_u_iso_or_equiv
    O151 .4764(5) .2873(6) .6244(5) .079(4)
    O152 .5166(4) .0943(5) .7325(4) .060(3)
    O241 1.1180(4) -.4158(4) .5048(4) .028(2)
    O242 1.0915(4) -.3661(5) .6879(4) .034(3)
    N11 .6824(4) .0128(5) .5930(4) .042(2)
    N13 .7258(4) .1450(5) .4441(4) .053(3)
    N15 .5307(4) .1741(6) .6518(4) .070(4)
    N21 .8548(4) -.0970(5) .3690(4) .045(3)
    N23 .9058(4) -.1712(5) .5722(4) .044(2)
    N24 1.0670(4) -.3490(5) .5716(4) .051(3)
    C11 .6861(5) -.1047(7) .6797(5) .056(4)
    C12 .7472(4) .0238(6) .5073(4) .037(3)
    C14 .6435(5) .2172(7) .4909(6) .053(4)
    C15 .6167(5) .1378(6) .5819(5) .044(3)
    C21 .7958(6) -.0199(7) .2468(5) .058(4)
    C22 .8340(5) -.0816(6) .4853(5) .036(3)
    C24 .9724(4) -.2426(6) .5079(5) .037(3)
    C25 .9446(5) -.2011(6) .3841(5) .043(3)
    H14 .6113 .3339 .4726 4.0
    H25 .9726 -.2226 .3066 4.0
    H111 .7207 -.1933 .6386 4.0
    H112 .6013 -.1256 .6853 4.0
    H113 .7451 -.0883 .7660 4.0
    H211 .8339 -.0566 .1679 4.0
    H212 .6953 -.0292 .2226 4.0
    H213 .8152 .0791 .2538 4.0