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data_Zn-CFA-1-OH
_audit_creation_date 2024-02-27
_audit_creation_method 'Materials Studio'
_symmetry_space_group_name_H-M 'P1'
_symmetry_Int_Tables_number 1
_symmetry_cell_setting triclinic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
_cell_length_a 17.7500
_cell_length_b 17.7500
_cell_length_c 19.1920
_cell_angle_alpha 90.0000
_cell_angle_beta 90.0000
_cell_angle_gamma 120.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
C1 C 0.13251 0.47278 0.60099 0.01267 Uiso 1.00
C2 C 0.52717 0.65924 0.60145 0.01267 Uiso 1.00
C3 C 0.34054 0.86768 0.60110 0.01267 Uiso 1.00
C4 C 0.47278 0.13251 0.39901 0.01267 Uiso 1.00
C5 C 0.65924 0.52717 0.39855 0.01267 Uiso 1.00
C6 C 0.86768 0.34054 0.39890 0.01267 Uiso 1.00
C7 C 0.18881 0.43840 0.60309 0.01267 Uiso 1.00
C8 C 0.56134 0.74988 0.60338 0.01267 Uiso 1.00
C9 C 0.24988 0.81128 0.60314 0.01267 Uiso 1.00
C10 C 0.43840 0.18881 0.39691 0.01267 Uiso 1.00
C11 C 0.74988 0.56134 0.39662 0.01267 Uiso 1.00
C12 C 0.81128 0.24988 0.39686 0.01267 Uiso 1.00
C13 C 0.16934 0.36248 0.56642 0.01267 Uiso 1.00
C14 C 0.63720 0.80647 0.56673 0.01267 Uiso 1.00
C15 C 0.19332 0.83058 0.56649 0.01267 Uiso 1.00
C16 C 0.36248 0.16934 0.43358 0.01267 Uiso 1.00
C17 C 0.80647 0.63720 0.43327 0.01267 Uiso 1.00
C18 C 0.83058 0.19332 0.43351 0.01267 Uiso 1.00
C19 C 0.09438 0.32519 0.52709 0.01267 Uiso 1.00
C20 C 0.67462 0.76899 0.52736 0.01267 Uiso 1.00
C21 C 0.23088 0.90552 0.52715 0.01267 Uiso 1.00
C22 C 0.32519 0.09438 0.47291 0.01267 Uiso 1.00
C23 C 0.76899 0.67462 0.47264 0.01267 Uiso 1.00
C24 C 0.90551 0.23088 0.47286 0.01267 Uiso 1.00
C25 C 0.03841 0.36098 0.52299 0.01267 Uiso 1.00
C26 C 0.63892 0.67723 0.52316 0.01267 Uiso 1.00
C27 C 0.32263 0.96162 0.52307 0.01267 Uiso 1.00
C28 C 0.36098 0.03841 0.47701 0.01267 Uiso 1.00
C29 C 0.67723 0.63892 0.47685 0.01267 Uiso 1.00
C30 C 0.96162 0.32263 0.47693 0.01267 Uiso 1.00
C31 C 0.05648 0.43436 0.56136 0.01267 Uiso 1.00
C32 C 0.56569 0.62180 0.56167 0.01267 Uiso 1.00
C33 C 0.37804 0.94371 0.56146 0.01267 Uiso 1.00
C34 C 0.43436 0.05648 0.43864 0.01267 Uiso 1.00
C35 C 0.62180 0.56569 0.43833 0.01267 Uiso 1.00
C36 C 0.94371 0.37804 0.43854 0.01267 Uiso 1.00
C37 C 0.09165 0.61513 0.83198 0.01267 Uiso 1.00
C38 C 0.38223 0.47632 0.83322 0.01267 Uiso 1.00
C39 C 0.52377 0.90807 0.83233 0.01267 Uiso 1.00
C40 C 0.61513 0.09165 0.16802 0.01267 Uiso 1.00
C41 C 0.47632 0.38224 0.16679 0.01267 Uiso 1.00
C42 C 0.90807 0.52377 0.16767 0.01267 Uiso 1.00
C43 C 0.14157 0.62308 0.89145 0.01267 Uiso 1.00
C44 C 0.37545 0.51853 0.89300 0.01267 Uiso 1.00
C45 C 0.48126 0.85826 0.89172 0.01267 Uiso 1.00
C46 C 0.62308 0.14157 0.10855 0.01267 Uiso 1.00
C47 C 0.51853 0.37545 0.10700 0.01267 Uiso 1.00
C48 C 0.85826 0.48126 0.10828 0.01267 Uiso 1.00
C49 C 0.10720 0.60993 0.95871 0.01267 Uiso 1.00
C50 C 0.38919 0.49669 0.95983 0.01267 Uiso 1.00
C51 C 0.50192 0.89238 0.95910 0.01267 Uiso 1.00
C52 C 0.60993 0.10720 0.04130 0.01267 Uiso 1.00
C53 C 0.49669 0.38919 0.04017 0.01267 Uiso 1.00
C54 C 0.89238 0.50192 0.04090 0.01267 Uiso 1.00
C55 C 0.02065 0.58763 0.96512 0.01267 Uiso 1.00
C56 C 0.40977 0.43115 0.96556 0.01267 Uiso 1.00
C57 C 0.56671 0.97874 0.96561 0.01267 Uiso 1.00
C58 C 0.58763 0.02065 0.03488 0.01267 Uiso 1.00
C59 C 0.43115 0.40977 0.03444 0.01267 Uiso 1.00
C60 C 0.97874 0.56671 0.03439 0.01267 Uiso 1.00
C61 C 0.97123 0.58133 0.90446 0.01267 Uiso 1.00
C62 C 0.41439 0.38765 0.90455 0.01267 Uiso 1.00
C63 C 0.61033 0.02818 0.90506 0.01267 Uiso 1.00
C64 C 0.58132 0.97123 0.09554 0.01267 Uiso 1.00
C65 C 0.38765 0.41439 0.09545 0.01267 Uiso 1.00
C66 C 0.02818 0.61033 0.09494 0.01267 Uiso 1.00
C67 C 0.00475 0.59477 0.83802 0.01267 Uiso 1.00
C68 C 0.40121 0.40880 0.83841 0.01267 Uiso 1.00
C69 C 0.59049 0.99487 0.83854 0.01267 Uiso 1.00
C70 C 0.59477 0.00475 0.16198 0.01267 Uiso 1.00
C71 C 0.40880 0.40121 0.16159 0.01267 Uiso 1.00
C72 C 0.99487 0.59049 0.16146 0.01267 Uiso 1.00
H73 H 0.63846 0.32288 0.95223 0.01267 Uiso 1.00
H74 H 0.32288 0.63846 0.04777 0.01267 Uiso 1.00
H75 H 0.61542 0.00736 0.40399 0.01267 Uiso 1.00
H76 H 0.99385 0.60840 0.40307 0.01267 Uiso 1.00
H77 H 0.39126 0.38543 0.40039 0.01267 Uiso 1.00
H78 H 0.00736 0.61542 0.59601 0.01267 Uiso 1.00
H79 H 0.60840 0.99385 0.59693 0.01267 Uiso 1.00
H80 H 0.38543 0.39126 0.59961 0.01267 Uiso 1.00
H81 H 0.21170 0.33489 0.56893 0.01267 Uiso 1.00
H82 H 0.66452 0.87637 0.56937 0.01267 Uiso 1.00
H83 H 0.12341 0.78803 0.56904 0.01267 Uiso 1.00
H84 H 0.33489 0.21170 0.43107 0.01267 Uiso 1.00
H85 H 0.87637 0.66452 0.43063 0.01267 Uiso 1.00
H86 H 0.78803 0.12341 0.43096 0.01267 Uiso 1.00
H87 H 0.07809 0.26752 0.49664 0.01267 Uiso 1.00
H88 H 0.73228 0.81052 0.49696 0.01267 Uiso 1.00
H89 H 0.18942 0.92163 0.49663 0.01267 Uiso 1.00
H90 H 0.26752 0.07809 0.50336 0.01267 Uiso 1.00
H91 H 0.81052 0.73228 0.50304 0.01267 Uiso 1.00
H92 H 0.92163 0.18942 0.50338 0.01267 Uiso 1.00
H93 H 0.01291 0.46062 0.56161 0.01267 Uiso 1.00
H94 H 0.53969 0.55202 0.56179 0.01267 Uiso 1.00
H95 H 0.44784 0.98737 0.56164 0.01267 Uiso 1.00
H96 H 0.46062 0.01291 0.43839 0.01267 Uiso 1.00
H97 H 0.55202 0.53969 0.43821 0.01267 Uiso 1.00
H98 H 0.98737 0.44784 0.43837 0.01267 Uiso 1.00
H99 H 0.14705 0.61492 1.00324 0.01267 Uiso 1.00
H100 H 0.38769 0.53261 1.00499 0.01267 Uiso 1.00
H101 H 0.46562 0.85264 1.00331 0.01267 Uiso 1.00
H102 H 0.61492 0.14705 -0.00324 0.01267 Uiso 1.00
H103 H 0.53261 0.38769 -0.00499 0.01267 Uiso 1.00
H104 H 0.85264 0.46562 -0.00331 0.01267 Uiso 1.00
H105 H 0.90433 0.56575 0.91138 0.01267 Uiso 1.00
H106 H 0.42832 0.33513 0.91094 0.01267 Uiso 1.00
H107 H 0.66186 0.09497 0.91211 0.01267 Uiso 1.00
H108 H 0.56575 0.90433 0.08862 0.01267 Uiso 1.00
H109 H 0.33513 0.42832 0.08906 0.01267 Uiso 1.00
H110 H 0.09497 0.66186 0.08789 0.01267 Uiso 1.00
H111 H 0.96647 0.58994 0.79241 0.01267 Uiso 1.00
H112 H 0.40509 0.37550 0.79231 0.01267 Uiso 1.00
H113 H 0.62424 0.03324 0.79304 0.01267 Uiso 1.00
H114 H 0.58994 0.96647 0.20759 0.01267 Uiso 1.00
H115 H 0.37550 0.40509 0.20769 0.01267 Uiso 1.00
H116 H 0.03324 0.62424 0.20696 0.01267 Uiso 1.00
N117 N 0.25674 0.49225 0.64454 0.01267 Uiso 1.00
N118 N 0.50751 0.76408 0.64475 0.01267 Uiso 1.00
N119 N 0.23574 0.74326 0.64447 0.01267 Uiso 1.00
N120 N 0.49225 0.25674 0.35546 0.01267 Uiso 1.00
N121 N 0.76408 0.50751 0.35525 0.01267 Uiso 1.00
N122 N 0.74326 0.23574 0.35553 0.01267 Uiso 1.00
N123 N 0.24275 0.55512 0.66652 0.01267 Uiso 1.00
N124 N 0.44483 0.68730 0.66694 0.01267 Uiso 1.00
N125 N 0.31262 0.75734 0.66644 0.01267 Uiso 1.00
N126 N 0.55512 0.24275 0.33348 0.01267 Uiso 1.00
N127 N 0.68730 0.44483 0.33306 0.01267 Uiso 1.00
N128 N 0.75734 0.31262 0.33356 0.01267 Uiso 1.00
N129 N 0.16861 0.54513 0.64175 0.01267 Uiso 1.00
N130 N 0.45493 0.62308 0.64236 0.01267 Uiso 1.00
N131 N 0.37683 0.83158 0.64181 0.01267 Uiso 1.00
N132 N 0.54513 0.16861 0.35825 0.01267 Uiso 1.00
N133 N 0.62308 0.45493 0.35764 0.01267 Uiso 1.00
N134 N 0.83158 0.37683 0.35819 0.01267 Uiso 1.00
N135 N 0.14403 0.62971 0.77592 0.01267 Uiso 1.00
N136 N 0.36824 0.51498 0.77747 0.01267 Uiso 1.00
N137 N 0.48603 0.85580 0.77619 0.01267 Uiso 1.00
N138 N 0.62971 0.14403 0.22408 0.01267 Uiso 1.00
N139 N 0.51498 0.36825 0.22253 0.01267 Uiso 1.00
N140 N 0.85580 0.48603 0.22381 0.01267 Uiso 1.00
N141 N 0.22093 0.64541 0.79950 0.01267 Uiso 1.00
N142 N 0.35368 0.57666 0.80145 0.01267 Uiso 1.00
N143 N 0.42437 0.77904 0.79964 0.01267 Uiso 1.00
N144 N 0.64541 0.22093 0.20050 0.01267 Uiso 1.00
N145 N 0.57666 0.35368 0.19855 0.01267 Uiso 1.00
N146 N 0.77904 0.42437 0.20036 0.01267 Uiso 1.00
N147 N 0.22162 0.64202 0.86845 0.01267 Uiso 1.00
N148 N 0.35736 0.58043 0.87053 0.01267 Uiso 1.00
N149 N 0.41996 0.77840 0.86857 0.01267 Uiso 1.00
N150 N 0.64202 0.22162 0.13155 0.01267 Uiso 1.00
N151 N 0.58043 0.35736 0.12947 0.01267 Uiso 1.00
N152 N 0.77840 0.41996 0.13143 0.01267 Uiso 1.00
O153 O 0.68765 0.33426 0.98063 0.01267 Uiso 1.00
O154 O 0.33426 0.68765 0.01937 0.01267 Uiso 1.00
O155 O 0.60710 0.01200 0.35502 0.01267 Uiso 1.00
O156 O 0.98814 0.59581 0.35401 0.01267 Uiso 1.00
O157 O 0.40473 0.39279 0.35148 0.01267 Uiso 1.00
O158 O 0.01200 0.60710 0.64498 0.01267 Uiso 1.00
O159 O 0.59581 0.98814 0.64599 0.01267 Uiso 1.00
O160 O 0.39279 0.40473 0.64852 0.01267 Uiso 1.00
Zn161 Zn 0.33310 0.66750 0.73393 0.01267 Uiso 1.00
Zn162 Zn 0.66750 0.33310 0.26607 0.01267 Uiso 1.00
Zn163 Zn 0.33330 0.66822 0.92337 0.01267 Uiso 1.00
Zn164 Zn 0.66822 0.33330 0.07663 0.01267 Uiso 1.00
Zn165 Zn 0.12297 0.62905 0.67054 0.01267 Uiso 1.00
Zn166 Zn 0.37052 0.49432 0.67149 0.01267 Uiso 1.00
Zn167 Zn 0.50635 0.87704 0.67074 0.01267 Uiso 1.00
Zn168 Zn 0.62905 0.12297 0.32946 0.01267 Uiso 1.00
Zn169 Zn 0.49432 0.37052 0.32851 0.01267 Uiso 1.00
Zn170 Zn 0.87704 0.50635 0.32926 0.01267 Uiso 1.00
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