data_global _chemical_name_mineral 'Uricite' loop_ _publ_author_name 'Ringertz H' _journal_name_full 'Acta Crystallographica' _journal_volume 20 _journal_year 1966 _journal_page_first 397 _journal_page_last 403 _publ_section_title ; The molecular and crystal structure of uric acid ; _database_code_amcsd 0009301 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'C5 H4 N4 O3' _cell_length_a 14.464 _cell_length_b 7.403 _cell_length_c 6.208 _cell_angle_alpha 90 _cell_angle_beta 65.10 _cell_angle_gamma 90 _cell_volume 602.943 _exptl_crystal_density_diffrn 1.852 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C1 0.39588 0.42200 0.87757 C2 0.36545 0.26650 0.58328 C3 0.46484 0.21754 0.46398 C4 0.53826 0.26650 0.54745 C5 0.38108 0.11110 0.26193 H1 0.54600 0.40100 0.82000 H2 0.26800 0.42800 0.83700 H3 0.55000 0.06100 0.14600 H4 0.25700 0.21300 0.49200 N1 0.49430 0.36422 0.75924 N2 0.32883 0.36683 0.78474 N3 0.47474 0.12343 0.26222 N4 0.31415 0.20174 0.45958 O1 0.36783 0.51657 0.05543 O2 0.63000 0.23031 0.45254 O3 0.35938 0.03350 0.11202 loop_ _atom_site_aniso_label _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 C1 0.02773 0.02527 0.03020 -0.00192 -0.01684 -0.00042 C2 0.02093 0.02055 0.02907 -0.00128 -0.01385 0.00127 C3 0.02040 0.02832 0.02891 0.00010 -0.01272 -0.00148 C4 0.01962 0.02638 0.03052 -0.00231 -0.01198 0.00443 C5 0.01596 0.02776 0.02586 -0.00084 -0.01010 0.00106 N1 0.02590 0.03026 0.02602 -0.00340 -0.01722 -0.00169 N2 0.01822 0.03165 0.03068 0.00138 -0.01347 -0.00401 N3 0.01613 0.03276 0.02715 -0.00010 -0.01085 -0.00443 N4 0.01613 0.03054 0.02650 0.00320 -0.01085 -0.00211 O1 0.03540 0.04720 0.03614 0.00143 -0.02021 -0.01014 O2 0.01517 0.04887 0.04064 -0.00285 -0.01347 -0.00042 O3 0.02363 0.04081 0.02988 0.00025 -0.01235 -0.00845