#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/08/2000868.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000868
loop_
_publ_author_name
'Yamagata, K.'
'Achiwa, N.'
'Hashimoto, M.'
'Koyano, N.'
Ridwan
'Iwata, Y.'
'Shibuya, I.'
_publ_section_title
;
 Magnesium formate-urea (1/2)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              793
_journal_page_last               795
_journal_paper_doi               10.1107/S0108270191012301
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C2 H2 Mg1 O4,C2 H8 N4 O2'
_chemical_formula_sum            'C4 H10 Mg N4 O6'
_chemical_formula_weight         234.48
_symmetry_cell_setting           monoclinic
_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                 123.000(10)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   17.094(2)
_cell_length_b                   16.8420(10)
_cell_length_c                   15.198(2)
_cell_volume                     3669.6(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.1926
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_meas      1.69
_exptl_crystal_F_000             1952
_cod_data_source_file            as0495.cif
_cod_data_source_block           as0495a
_cod_original_cell_volume        3669.6(6)
_cod_original_formula_sum        'C4 H10 Mg1 N4 O6'
_cod_database_code               2000868
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1 .24637(4) .99384(3) .50333(4)
Mg2 .00323(4) 1.25441(3) .49683(4)
O1 .33739(8) .96467(7) .66157(9)
O2 .13991(9) 1.01026(8) .34515(9)
O3 .14593(8) .94602(8) .52240(10)
O4 .27517(8) .88325(7) .46110(10)
O5 .22174(9) 1.10795(7) .53920(10)
O6 .14386(9) 1.45859(7) .50030(10)
O7 .06013(9) 1.28359(7) .6534(9)
O8 -.04499(8) 1.23637(8) .33933(9)
O9 .13272(8) 1.20488(7) .53851(9)
O10 .04261(9) 1.36569(7) .47740(10)
O11 .03904(9) .85890(7) .49750(10)
O12 .37326(8) .79684(7) .46000(10)
N1 .44830(10) .96430(10) .83350(10)
N2 .39830(10) 1.08070(10) .74570(10)
N3 .05190(10) 1.02870(10) .17060(10)
N4 .20980(10) 1.02550(10) .25540(10)
N5 -.12570(10) 1.22970(10) .16410(10)
N6 -.20250(10) 1.23850(10) .24770(10)
N7 .15610(10) 1.28610(10) .82960(10)
N8 .11420(10) 1.16820(10) .74300(10)
C1 .39350(10) 1.00240(10) .74350(10)
C2 .13500(10) 1.02230(10) .26100(10)
C3 .10240(10) .88340(10) .4876(2)
C4 .35140(10) .86180(10) .4771(2)
C5 -.12220(10) 1.23470(10) .25350(10)
C6 .10780(10) 1.24690(10) .73880(10)
C7 .14990(10) 1.13450(10) .52910(10)
C8 .12070(10) 1.38970(10) .5058(2)
H1 .448(2) .913(2) .832(2)
H2 .493(2) .986(2) .883(2)
H3 .361(2) 1.1090(10) .690(2)
H4 .430(2) 1.1060(10) .799(2)
H5 .002(2) 1.0260(10) .173(2)
H6 .051(2) 1.047(2) .123(2)
H7 .204(2) 1.0370(10) .200(2)
H8 .2590(10) 1.0240(10) .307(2)
H9 .110(2) .852(2) .440(2)
H10 .407(2) .896(2) .516(3)
H11 -.173(2) 1.230(2) .114(2)
H12 -.071(2) 1.230(2) .169(2)
H13 -.257(2) 1.2470(10) .185(2)
H14 -.200(2) 1.249(2) .305(2)
H15 .188(2) 1.263(2) .882(2)
H16 .154(2) 1.338(2) .826(2)
H17 .085(2) 1.1450(10) .689(2)
H18 .148(2) 1.1470(10) .799(2)
H19 .101(2) 1.098(2) .512(2)
H20 .176(2) 1.354(2) .545(3)
