Electronic Supplementary Material for CrystEngComm This Journal is (c) The Royal Society of Chemistry 2007 data_block_1 _audit_creation_date 'Wed Feb 21 18:35:37 2007' _audit_creation_method 'generated by GDIS v0.87' _cell_length_a 8.2485 _cell_length_b 5.1435 _cell_length_c 4.7170 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si 0.5000 0.5000 0.7500 Si 0.5000 0.5000 0.2500 O 0.6010 0.6646 0.5000 O 0.3990 0.3354 0.5000 O 0.6010 0.3354 0.0000 O 0.3990 0.6646 0.0000 Si 0.0000 0.0000 0.2500 Si 1.0000 0.0000 0.7500 O 0.1010 0.1646 0.0000 O 0.8990 0.8354 0.0000 O 0.1010 0.8354 0.5000 O 0.8990 0.1646 0.5000 data_block_1 _audit_creation_date 'Wed Feb 21 18:26:39 2007' _audit_creation_method 'generated by GDIS v0.87' _cell_length_a 14.4859 _cell_length_b 10.0372 _cell_length_c 43.0025 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si -0.0622 0.6863 0.7735 Si 0.5622 0.3137 0.2735 Si 0.4378 0.8137 0.2265 Si 1.0622 0.1863 0.7265 Si 1.0622 0.3137 0.2265 Si 0.4378 0.6863 0.7265 Si 0.5622 0.1863 0.7735 Si -0.0622 0.8137 0.2735 Si -0.1856 0.5935 0.8011 Si 0.6856 0.4065 0.3011 Si 0.3144 0.9065 0.1989 Si 1.1856 0.0935 0.6989 Si 1.1856 0.4065 0.1989 Si 0.3144 0.5935 0.6989 Si 0.6856 0.0935 0.8011 Si -0.1856 0.9065 0.3011 Si -0.1664 0.5801 0.9465 Si 0.6664 0.4198 0.4465 Si 0.3336 0.9198 0.0535 Si 1.1664 0.0801 0.5535 Si 1.1664 0.4199 0.0535 Si 0.3336 0.5802 0.5535 Si 0.6664 0.0802 0.9465 Si -0.1664 0.9199 0.4465 Si -0.2473 0.5204 0.9016 Si 0.7473 0.4795 0.4016 Si 0.2527 0.9795 0.0984 Si 1.2473 0.0204 0.5984 Si 1.2473 0.4796 0.0984 Si 0.2527 0.5205 0.5984 Si 0.7473 0.0205 0.9016 Si -0.2473 0.9796 0.4016 Si -0.0385 0.6718 0.9717 Si 0.5385 0.3282 0.4717 Si 0.4615 0.8282 0.0283 Si 1.0385 0.1718 0.5283 Si 1.0385 0.3282 0.0283 Si 0.4615 0.6718 0.5283 Si 0.5385 0.1718 0.9717 Si -0.0385 0.8282 0.4717 Si 0.0838 0.7855 0.7725 Si 0.4162 0.2145 0.2725 Si 0.5838 0.7145 0.2275 Si 0.9162 0.2855 0.7275 Si 0.9162 0.2145 0.2275 Si 0.5838 0.7855 0.7275 Si 0.4162 0.2855 0.7725 Si 0.0838 0.7145 0.2725 Si 0.1058 0.7763 0.9706 Si 0.3942 0.2237 0.4706 Si 0.6058 0.7237 0.0294 Si 0.8942 0.2763 0.5294 Si 0.8942 0.2237 0.0294 Si 0.6058 0.7763 0.5294 Si 0.3942 0.2763 0.9706 Si 0.1058 0.7237 0.4706 Si -0.2546 0.5261 0.8476 Si 0.7545 0.4739 0.3476 Si 0.2455 0.9739 0.1524 Si 1.2545 0.0261 0.6524 Si 1.2546 0.4739 0.1524 Si 0.2454 0.5261 0.6524 Si 0.7545 0.0261 0.8476 Si -0.2545 0.9739 0.3476 Si 0.2153 0.8713 0.7973 Si 0.2847 0.1287 0.2973 Si 0.7154 0.6287 0.2027 Si 0.7847 0.3713 0.7027 Si 0.7847 0.1287 0.2027 Si 0.7153 0.8713 0.7027 Si 0.2846 0.3713 0.7973 Si 0.2153 0.6287 0.2973 Si 0.2981 0.9222 0.8423 Si 0.2019 0.0778 0.3423 Si 0.7981 0.5778 0.1577 Si 0.7019 0.4222 0.6577 Si 0.7019 0.0778 0.1577 Si 0.7981 0.9222 0.6577 Si 0.2019 0.4222 0.8423 Si 0.2981 0.5778 0.3423 Si 0.3033 0.9201 0.8964 Si 0.1967 0.0798 0.3964 Si 0.8033 0.5799 0.1036 Si 0.6967 0.4201 0.6036 Si 0.6967 0.0799 0.1036 Si 0.8033 0.9202 0.6036 Si 0.1967 0.4201 0.8964 Si 0.3033 0.5799 0.3964 Si 0.2304 0.8664 0.9431 Si 0.2696 0.1336 0.4431 Si 0.7304 0.6336 0.0569 Si 0.7696 0.3664 0.5569 Si 0.7696 0.1336 0.0569 Si 0.7304 0.8664 0.5569 Si 0.2696 0.3664 0.9431 Si 0.2304 0.6336 0.4431 O -0.2341 0.4500 0.9370 O 0.7341 0.5499 0.4370 O 0.2659 1.0499 0.0630 O 1.2341 -0.0500 0.5630 O 1.2341 0.5500 0.0630 O 0.2659 0.4501 0.5630 O 0.7341 -0.0499 0.9370 O -0.2341 1.0500 0.4370 O -0.2055 0.6639 0.9158 O 0.7055 0.3360 0.4158 O 0.2945 0.8360 0.0842 O 1.2055 0.1639 0.5842 O 1.2055 0.3361 0.0842 O 0.2945 0.6640 0.5842 O 0.7055 0.1640 0.9158 O -0.2055 0.8361 0.4158 O -0.1523 0.6685 0.9797 O 0.6523 0.3315 0.4797 O 0.3477 0.8315 0.0203 O 1.1523 0.1685 0.5203 O 1.1523 0.3315 0.0203 O 0.3477 0.6685 0.5203 O 0.6523 0.1685 0.9797 O -0.1523 0.8315 0.4797 O -0.0527 0.5530 0.9451 O 0.5527 0.4470 0.4451 O 0.4473 0.9470 0.0549 O 1.0527 0.0531 0.5549 O 1.0527 0.4470 0.0549 O 0.4473 0.5531 0.5549 O 0.5527 0.0530 0.9451 O -0.0527 0.9469 0.4451 O 0.0013 0.8148 0.9571 O 0.4987 0.1852 0.4571 O 0.5013 0.6852 0.0429 O 0.9987 0.3148 0.5429 O 0.9987 0.1852 0.0429 O 0.5013 0.8148 0.5429 O 0.4987 0.3148 0.9571 O 0.0013 0.6852 0.4571 O 0.0581 0.6577 0.9935 O 0.4419 0.3423 0.4935 O 0.5581 0.8423 0.0065 O 0.9419 0.1577 0.5065 O 0.9419 0.3423 0.0065 O 0.5581 0.6577 0.5065 O 0.4419 0.1577 0.9935 O 0.0581 0.8423 0.4935 O 0.1795 0.7161 0.9444 O 0.3205 0.2838 0.4444 O 0.6795 0.7839 0.0556 O 0.8205 0.2162 0.5556 O 0.8205 0.2839 0.0556 O 0.6795 0.7162 0.5556 O 0.3205 0.2161 0.9444 O 0.1795 0.7838 0.4444 O 0.1754 0.9080 0.9765 O 0.3246 0.0920 0.4765 O 0.6754 0.5920 0.0235 O 0.8246 0.4080 0.5235 O 0.8246 0.0920 0.0235 O 0.6754 0.9080 0.5235 O 0.3246 0.4080 0.9765 O 0.1754 0.5920 0.4765 O 0.1633 0.7222 0.7965 O 0.3367 0.2778 0.2965 O 0.6633 0.7778 0.2035 O 0.8367 0.2222 0.7035 O 0.8367 0.2778 0.2035 O 0.6633 0.7222 0.7035 O 0.3367 0.2222 0.7965 O 0.1633 0.7778 0.2965 O 0.1534 0.9169 0.7655 O 0.3466 0.0831 0.2655 O 0.6534 0.5831 0.2345 O 0.8466 0.4169 0.7345 O 0.8466 0.0831 0.2345 O 0.6534 0.9169 0.7345 O 0.3466 0.4169 0.7655 O 0.1534 0.5831 0.2655 O -0.0162 0.8226 0.7896 O 0.5162 0.1775 0.2896 O 0.4838 0.6775 0.2104 O 1.0162 0.3226 0.7104 O 1.0162 0.1775 0.2104 O 0.4838 0.8225 0.7104 O 0.5162 0.3225 0.7896 O -0.0162 0.6774 0.2896 O 0.0295 0.6750 0.7494 O 0.4705 0.3250 0.2494 O 0.5295 0.8250 0.2506 O 0.9705 0.1750 0.7506 O 0.9705 0.3250 0.2506 O 0.5295 0.6750 0.7506 O 0.4705 0.1750 0.7494 O 0.0295 0.8250 0.2494 O -0.2143 0.6713 0.8339 O 0.7143 0.3287 0.3339 O 0.2857 0.8287 0.1661 O 1.2143 0.1713 0.6661 O 1.2143 0.3287 0.1661 O 0.2857 0.6713 0.6661 O 0.7143 0.1713 0.8339 O -0.2143 0.8287 0.3339 O -0.2527 0.4635 0.8112 O 0.7527 0.5365 0.3113 O 0.2473 1.0365 0.1887 O 1.2527 -0.0365 0.6888 O 1.2527 0.5365 0.1888 O 0.2473 0.4635 0.6888 O 0.7527 -0.0365 0.8113 O -0.2527 1.0365 0.3112 O -0.1779 0.6922 0.7693 O 0.6779 0.3078 0.2693 O 0.3221 0.8078 0.2307 O 1.1779 0.1922 0.7307 O 1.1779 0.3078 0.2307 O 0.3221 0.6922 0.7307 O 0.6779 0.1922 0.7693 O -0.1779 0.8078 0.2693 O -0.0731 0.5591 0.7982 O 0.5730 0.4409 0.2982 O 0.4270 0.9409 0.2018 O 1.0730 0.0591 0.7018 O 1.0730 0.4409 0.2018 O 0.4270 0.5591 0.7018 O 0.5730 0.0591 0.7982 O -0.0730 0.9409 0.2982 O -0.3340 0.5439 0.8760 O 0.8340 0.4561 0.3760 O 0.1660 0.9561 0.1240 O 1.3340 0.0439 0.6240 O 1.3340 0.4561 0.1240 O 0.1660 0.5439 0.6240 O 0.8340 0.0439 0.8760 O -0.3340 0.9561 0.3760 O -0.1819 0.4574 0.8732 O 0.6819 0.5426 0.3732 O 0.3181 1.0426 0.1268 O 1.1819 -0.0426 0.6268 O 1.1819 0.5426 0.1268 O 0.3181 0.4574 0.6268 O 0.6819 -0.0426 0.8732 O -0.1819 1.0426 0.3732 O 0.1929 0.9602 0.8289 O 0.3071 0.0398 0.3289 O 0.6929 0.5398 0.1711 O 0.8071 0.4602 0.6711 O 0.8071 0.0398 0.1711 O 0.6929 0.9602 0.6711 O 0.3071 0.4602 0.8289 O 0.1929 0.5398 0.3289 O 0.3284 0.8698 0.8062 O 0.1716 0.1302 0.3063 O 0.8285 0.6302 0.1938 O 0.6716 0.3698 0.6938 O 0.6716 0.1302 0.1938 O 0.8284 0.8698 0.6937 O 0.1715 0.3698 0.8062 O 0.3284 0.6302 0.3062 O 0.3394 1.0293 0.8692 O 0.1606 -0.0293 0.3692 O 0.8394 0.4707 0.1308 O 0.6606 0.5293 0.6308 O 0.6606 -0.0293 0.1308 O 0.8394 1.0293 0.6308 O 0.1606 0.5293 0.8692 O 0.3394 0.4707 0.3692 O 0.2960 0.8019 0.8691 O 0.2039 0.1981 0.3692 O 0.7961 0.6981 0.1309 O 0.7040 0.3019 0.6309 O 0.7039 0.1981 0.1309 O 0.7961 0.8019 0.6308 O 0.2039 0.3019 0.8691 O 0.2960 0.6981 0.3691 O 0.3413 0.8667 0.9315 O 0.1587 0.1333 0.4315 O 0.8413 0.6333 0.0685 O 0.6587 0.3667 0.5685 O 0.6587 0.1333 0.0685 O 0.8413 0.8667 0.5685 O 0.1587 0.3667 0.9315 O 0.3413 0.6333 0.4315 O 0.2007 0.9557 0.9122 O 0.2993 0.0443 0.4122 O 0.7007 0.5443 0.0878 O 0.7993 0.4557 0.5878 O 0.7993 0.0443 0.0878 O 0.7007 0.9557 0.5878 O 0.2993 0.4557 0.9122 O 0.2007 0.5443 0.4122 data_block_1 _audit_creation_date 'Wed Feb 21 18:42:42 2007' _audit_creation_method 'generated by GDIS v0.87' _cell_length_a 11.8906 _cell_length_b 11.1454 _cell_length_c 20.5398 _cell_angle_alpha 89.83 _cell_angle_beta 77.77 _cell_angle_gamma 118.05 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si 0.7381 0.6536 0.7697 Si 0.2634 0.3493 0.2295 Si 0.6606 0.6136 0.6387 Si 0.3410 0.3893 0.3605 Si 0.9070 0.5336 0.7498 Si 0.0945 0.4693 0.2494 Si 0.5741 0.5553 0.8710 Si 0.4275 0.4476 0.1282 Si 0.7856 0.3301 0.8729 Si 0.2159 0.6727 0.1263 Si 0.7910 0.4698 0.5618 Si 0.2106 0.5330 0.4374 Si 0.9171 0.4269 0.6515 Si 0.0845 0.5759 0.3477 Si 0.6195 0.3585 0.9447 Si 0.3820 0.6443 0.0545 Si 0.4356 0.5037 0.6377 Si 0.5660 0.4992 0.3615 Si 0.2876 0.4129 0.8724 Si 0.7139 0.5900 0.1268 Si 0.7030 0.0829 0.8120 Si 0.2986 0.9199 0.1872 Si 0.7614 0.1273 0.6931 Si 0.2402 0.8756 0.3061 Si 0.2299 0.3835 0.7679 Si 0.7717 0.6194 0.2313 Si 0.6261 0.2664 0.5356 Si 0.3754 0.7364 0.4636 Si 0.3742 0.1259 0.9733 Si 0.6273 0.8770 0.0259 Si 0.3663 0.2641 0.5707 Si 0.6353 0.7388 0.4285 Si 0.2072 0.1580 0.9458 Si 0.7943 0.8449 0.0534 Si 0.5560 0.0181 0.6134 Si 0.4455 0.9848 0.3858 Si 0.4168 -0.0623 0.8810 Si 0.5848 1.0652 0.1182 Si 0.0695 0.0878 0.7569 Si 0.9320 0.9151 0.2423 Si 0.1991 0.0575 0.6341 Si 0.8024 0.9454 0.3651 Si 0.0832 -0.0306 0.8472 Si 0.9183 1.0335 0.1520 Si 0.2526 -0.1492 0.8198 Si 0.7489 1.1521 0.1794 Si 0.3308 -0.0937 0.6696 Si 0.6708 1.0966 0.3295 O 0.7300 0.7006 0.6960 O 0.2715 0.3022 0.3032 O 0.8849 0.6667 0.7632 O 0.1166 0.3361 0.2360 O 0.9014 0.4594 0.8198 O 0.1002 0.5435 0.1794 O 0.7717 0.6038 0.5787 O 0.2298 0.3991 0.4205 O 1.0302 0.5371 0.6897 O -0.0287 0.4657 0.3095 O 0.6020 0.4944 0.9356 O 0.3995 0.5085 0.0636 O 0.5631 0.6628 0.6106 O 0.4385 0.3401 0.3885 O 0.4226 0.5292 0.8903 O 0.5790 0.4736 0.1089 O 0.7673 0.3809 0.9499 O 0.2343 0.6219 0.0493 O 0.9282 0.4888 0.5766 O 0.0734 0.5141 0.4226 O 0.7940 0.1896 0.8585 O 0.2075 0.8133 0.1407 O 0.7612 0.4043 0.4898 O 0.2404 0.5985 0.5094 O 0.8914 0.2686 0.6527 O 0.1102 0.7343 0.3465 O 0.4955 0.2372 1.0018 O 0.5061 0.7657 -0.0026 O 0.3097 0.4834 0.6968 O 0.6919 0.5194 0.3024 O 0.3214 0.3427 0.8047 O 0.6802 0.6601 0.1945 O 0.3850 0.4192 0.5746 O 0.6166 0.5837 0.4246 O 0.1960 0.2983 0.9391 O 0.8056 0.7045 0.0601 O 0.6687 0.1597 0.7553 O 0.3328 0.8432 0.2439 O 0.5677 -0.0378 0.8599 O 0.4339 1.0407 0.1393 O 0.6819 0.0331 0.6403 O 0.3196 0.9698 0.3589 O 0.6101 0.1119 0.5399 O 0.3915 0.8909 0.4592 O 0.0988 0.2472 0.7567 O 0.9027 0.7557 0.2424 O 0.3926 -0.0081 0.9547 O 0.6090 1.0109 0.0445 O 0.2302 0.1318 0.5564 O 0.7713 0.8711 0.4428 O 0.0922 0.0328 0.9191 O 0.9093 0.9701 0.0801 O 0.4953 0.2656 0.5233 O 0.5063 0.7373 0.4759 O 0.2243 0.0955 1.0163 O 0.7773 0.9074 -0.0171 O 0.3742 0.0049 0.8248 O 0.6270 0.9978 0.1750 O 0.4598 0.0571 0.6704 O 0.5418 0.9458 0.3288 O 0.0607 0.0356 0.6825 O 0.9408 0.9673 0.3167 O 0.2188 -0.0777 0.6406 O 0.7828 1.0806 0.3585 O -0.0406 -0.0277 0.8212 O 1.0421 1.0306 0.1780 O 0.1052 -0.1652 0.8501 O 0.8963 1.1680 0.1491 O 0.2625 -0.1881 0.7426 O 0.7391 1.1910 0.2566 O 0.7931 0.0429 0.7495 O 0.2085 0.9600 0.2497 O 0.2998 -0.2204 0.8735 O 0.7017 1.2233 0.1257 O 0.4277 -0.1384 0.6140 O 0.5739 1.1413 0.3852 O 0.3605 0.1984 0.9063 O 0.6411 0.8045 0.0929 O 0.6335 0.2949 0.8718 O 0.3681 0.7080 0.1274 O 0.7979 0.4357 0.7077 O 0.2036 0.5672 0.2914 O 0.6652 0.3273 0.6064 O 0.3364 0.6756 0.3928 O 0.3262 0.1957 0.6499 O 0.6753 0.8072 0.3493 O 0.1903 0.0735 0.7800 O 0.8112 0.9294 0.2192 O 0.6160 0.4966 0.8007 O 0.3856 0.5062 0.1985 O 0.5324 0.4605 0.6684 O 0.4691 0.5423 0.3308 O 0.6897 0.7163 0.8380 O 0.3119 0.2866 0.1611 O 0.2006 0.4619 0.8347 O 0.8009 0.5409 0.1645