data_global _amcsd_formula_title '[Co(C2H4N2)(C3H6N2)(C4H8N2)][Co(CN)6].H20' loop_ _publ_author_name 'Takazawa H' 'Ohba S' 'Saito Y' 'Ichida H' 'Rasmussen K' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 2354 _journal_page_last 2357 _publ_section_title ; Structure of (ethylenediamine)(tetramethylenediamine)(trimethylenediamine)- cobalt(III) hexacyanocobaltate(III)monohydrate,-(+)589[Co(en)(tn)(tmd)]- [Co(CN)6].H20 ; _database_code_amcsd 0010242 _chemical_formula_sum 'Co4 O2 N24 C30' _cell_length_a 9.599 _cell_length_b 15.344 _cell_length_c 8.944 _cell_angle_alpha 100.47 _cell_angle_beta 113.93 _cell_angle_gamma 81.37 _cell_volume 1179.773 _exptl_crystal_density_diffrn 1.357 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Col 0.16700 0.25890 0.68430 1.00000 0.01773 Co2 0.83210 0.74130 0.30660 1.00000 0.02153 Co3 0.00000 0.00000 0.00000 1.00000 0.01900 Co4 0.49790 0.49770 0.49590 1.00000 0.01773 O1 0.46790 0.18060 0.08780 1.00000 0.02153 O2 0.53000 0.81900 -0.09390 1.00000 0.06079 N1 0.31270 0.32100 0.88740 1.00000 0.01773 N2 0.02660 0.28230 0.80210 1.00000 0.02406 N3 0.09970 0.37390 0.59210 1.00000 0.01773 N4 0.00270 0.20010 0.48420 1.00000 0.01646 N5 0.32710 0.23770 0.59170 1.00000 0.01520 N6 0.23080 0.14230 0.76360 1.00000 0.02153 N7 0.83710 0.62010 0.18910 1.00000 0.06586 N8 0.83150 0.77710 0.10770 1.00000 0.05193 N9 0.60170 0.74240 0.19640 1.00000 0.07346 N10 0.81810 0.86930 0.39920 1.00000 0.05953 N11 0.82830 0.69760 0.49890 1.00000 0.06459 N12 0.05730 0.74250 0.40680 1.00000 0.05319 N13 0.16930 0.15210 0.24280 1.00000 0.02913 N14 -0.10240 0.10010 -0.30000 1.00000 0.02660 N15 -0.27130 0.07240 0.08490 1.00000 0.03546 N16 -0.17470 -0.15040 -0.25490 1.00000 0.03293 N17 0.10160 -0.11110 0.27640 1.00000 0.06079 N18 0.27680 -0.08070 -0.08800 1.00000 0.07599 N19 0.46760 0.30160 0.35910 1.00000 0.01140 N20 0.83100 0.45160 0.70570 1.00000 0.02153 N21 0.40340 0.45630 0.75430 1.00000 0.05066 N22 0.52510 0.69410 0.62080 1.00000 0.05446 N23 0.16360 0.54960 0.28700 1.00000 0.04559 N24 0.60280 0.54130 0.23430 1.00000 0.02786 C1 0.23570 0.37450 0.98700 1.00000 0.02786 C2 0.12340 0.31630 0.99140 1.00000 0.03800 C3 0.61670 0.37630 0.40970 1.00000 0.02913 C4 -0.11000 0.32720 0.32270 0.50000 0.03040 C41 -0.10230 0.38160 0.30560 0.50000 0.01520 C42 -0.20010 0.30540 0.29640 0.50000 0.04179 C5 -0.15190 0.25120 0.40430 1.00000 0.02533 C6 0.47140 0.18760 0.67600 1.00000 0.03040 C7 0.49910 0.09620 0.63700 0.50000 0.02533 C71 0.45650 0.09010 0.67580 0.50000 0.02533 C8 0.42500 0.03830 0.69480 0.50000 0.02026 C9 0.26160 0.06480 0.65570 1.00000 0.02786 C10 0.79250 0.62160 0.01000 1.00000 0.03040 C11 0.88730 0.69130 0.01360 1.00000 0.04813 C12 0.50560 0.79800 0.29720 1.00000 0.04559 C13 0.54130 0.90200 0.35350 0.70000 0.07979 C131 0.52640 0.88170 0.38460 0.30000 0.03800 C132 0.57970 0.96030 0.34510 0.30000 0.05446 C14 0.67820 0.92520 0.31670 1.00000 0.06206 C15 0.94910 0.62630 0.57970 0.70000 0.02786 C151 0.00180 0.63380 0.59740 0.30000 0.03926 C16 0.08100 0.65980 0.72450 0.70000 0.03040 C161 0.14690 0.69490 0.68470 0.30000 0.05573 C17 0.17660 0.70560 0.71930 0.70000 0.04053 C18 0.13690 0.76630 0.58080 1.00000 0.04433 C19 0.11580 0.09360 0.15630 1.00000 0.04559 C20 -0.07620 0.07080 -0.19860 1.00000 0.02533 C21 -0.17310 0.04990 0.03290 1.00000 0.02660 C22 -0.10530 -0.09390 -0.14930 1.00000 0.01013 C23 0.06200 -0.06250 0.16470 1.00000 0.01646 C24 0.17030 -0.04180 -0.06860 1.00000 0.02153 C25 0.47960 0.37120 0.40900 1.00000 0.04813 C26 0.71170 0.46540 0.63430 1.00000 0.01900 C27 0.43620 0.48190 0.65240 1.00000 0.03546 C28 0.51920 0.61660 0.58580 1.00000 0.00380 C29 0.30250 0.52330 0.37230 1.00000 0.02026 C30 0.55890 0.52540 0.32410 1.00000 0.01013