# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl
#TrackingRef 'Dy(hfaa)(bpy)_z_shelxl.cif'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
_cell_length_a                   21.3765(4)
_cell_length_b                   18.9450(4)
_cell_length_c                   16.3980(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.645(2)
_cell_angle_gamma                90.00
_cell_volume                     6425.07
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C -0.0788(3) 0.1177(4) 0.3643(4)
H1 H -0.0653 0.0825 0.3331
C2 C -0.1127(4) 0.0988(5) 0.4210(5)
H2 H -0.1236 0.0518 0.4264
C3 C -0.1302(4) 0.1484(5) 0.4687(6)
H3 H -0.1525 0.1365 0.5087
C4 C -0.1146(4) 0.2168(4) 0.4576(5)
H4 H -0.1264 0.2520 0.4905
C5 C -0.0823(3) 0.2344(4) 0.3993(4)
C6 C -0.0624(3) 0.3080(4) 0.3858(4)
C7 C -0.0795(5) 0.3660(5) 0.4264(6)
H7 H -0.1063 0.3595 0.4625
C8 C -0.0592(6) 0.4299(5) 0.4159(7)
H8 H -0.0695 0.4673 0.4469
C9 C -0.0219(5) 0.4420(4) 0.3581(6)
H9 H -0.0080 0.4867 0.3472
C10 C -0.0078(3) 0.3830(3) 0.3195(5)
H10 H 0.0177 0.3886 0.2816
C11 C -0.2261(4) 0.2839(5) 0.1544(7)
C12 C -0.1695(3) 0.2343(4) 0.1622(4)
C13 C -0.1844(3) 0.1635(4) 0.1468(5)
H13 H -0.2275 0.1493 0.1337
C14 C -0.1372(3) 0.1143(3) 0.1505(4)
C15 C -0.1562(4) 0.0386(4) 0.1264(6)
C16 C 0.1180(5) 0.1492(5) 0.0654(7)
C17 C 0.0768(3) 0.1996(4) 0.0984(5)
C18 C 0.0833(4) 0.2707(4) 0.0810(5)
H18 H 0.1127 0.2848 0.0510
C19 C 0.0459(3) 0.3201(4) 0.1087(4)
C20 C 0.0579(4) 0.3956(4) 0.0892(5)
C21 C 0.2033(4) 0.2826(5) 0.3356(8)
C22 C 0.1458(3) 0.2327(4) 0.3244(4)
C23 C 0.1583(3) 0.1625(4) 0.3444(5)
H23 H 0.2009 0.1478 0.3655
C24 C 0.1092(3) 0.1135(3) 0.3337(4)
C25 C 0.1291(4) 0.0377(4) 0.3563(6)
N1 N -0.0642(2) 0.1853(3) 0.3515(3)
N2 N -0.0275(2) 0.3173(3) 0.3309(3)
O1 O -0.07766(18) 0.1237(2) 0.1717(3)
O2 O -0.11571(19) 0.2618(2) 0.1799(3)
O3 O 0.00494(19) 0.3108(2) 0.1488(3)
O4 O 0.0415(2) 0.1723(2) 0.1377(3)
O5 O 0.09256(19) 0.2609(2) 0.2953(3)
O6 O 0.05040(19) 0.1240(2) 0.3067(3)
Dy1 Dy -0.010585(12) 0.218066(14) 0.236430(17)
F1 F -0.2249(4) 0.3370(5) 0.1118(8)
F2 F -0.2207(5) 0.3148(6) 0.2242(8)
F3 F -0.2798(3) 0.2594(5) 0.1484(8)
F4 F -0.2197(3) 0.0266(3) 0.1105(6)
F5 F -0.1408(4) 0.0184(3) 0.0599(5)
F6 F -0.1299(4) -0.0040(3) 0.1867(5)
F7 F 0.0821(3) -0.0018(3) 0.3619(6)
F8 F 0.1674(4) 0.0295(3) 0.4259(5)
F9 F 0.1540(5) 0.0095(4) 0.3036(6)
F10 F 0.1538(6) 0.1713(4) 0.0260(9)
F11 F 0.0903(4) 0.1001(5) 0.0236(6)
F12 F 0.1557(5) 0.1176(6) 0.1189(5)
F13 F 0.2545(3) 0.2642(4) 0.3767(9)
F14 F 0.2179(5) 0.2919(7) 0.2662(7)
F15 F 0.1920(3) 0.3439(4) 0.3553(7)
F16 F 0.0766(7) 0.4080(3) 0.0281(7)
F17 F 0.0985(6) 0.4239(4) 0.1426(6)
F18 F 0.0119(4) 0.4351(3) 0.0771(8)
C26 C 0.5055(3) -0.1384(3) 0.1812(5)
H26 H 0.4804 -0.1441 0.2196
C27 C 0.5241(5) -0.1986(4) 0.1471(6)
H27 H 0.5115 -0.2433 0.1602
C28 C 0.5635(5) -0.1884(5) 0.0907(7)
H28 H 0.5789 -0.2268 0.0662
C29 C 0.5780(4) -0.1226(4) 0.0735(5)
H29 H 0.6033 -0.1150 0.0357
C30 C 0.5561(3) -0.0650(3) 0.1111(4)
C31 C 0.5713(3) 0.0095(3) 0.0911(4)
C32 C 0.6031(4) 0.0273(4) 0.0301(5)
H32 H 0.6159 -0.0080 -0.0017
C33 C 0.6158(4) 0.0961(4) 0.0164(5)
H33 H 0.6395 0.1081 -0.0221
C34 C 0.5934(4) 0.1464(4) 0.0598(4)
H34 H 0.5995 0.1938 0.0495
C35 C 0.5618(3) 0.1271(3) 0.1191(4)
H35 H 0.5470 0.1623 0.1489
C36 C 0.7163(4) -0.0397(5) 0.3395(8)
C37 C 0.6596(3) 0.0129(4) 0.3296(4)
C38 C 0.6745(3) 0.0837(4) 0.3432(5)
H38 H 0.7175 0.0978 0.3582
C39 C 0.6270(3) 0.1329(3) 0.3349(4)
C40 C 0.6476(4) 0.2104(4) 0.3537(5)
C41 C 0.4463(5) -0.1426(4) 0.4217(6)
C42 C 0.4519(3) -0.0711(3) 0.3895(4)
C43 C 0.4125(4) -0.0218(4) 0.4174(5)
H43 H 0.3875 -0.0359 0.4535
C44 C 0.4110(3) 0.0488(4) 0.3905(5)
C45 C 0.3631(5) 0.0949(6) 0.4141(9)
C46 C 0.2875(4) -0.0392(4) 0.1641(6)
C47 C 0.3437(3) 0.0107(4) 0.1727(4)
C48 C 0.3308(3) 0.0826(4) 0.1552(5)
H48 H 0.2880 0.0978 0.1403
C49 C 0.3794(3) 0.1315(4) 0.1593(4)
C50 C 0.3587(4) 0.2060(4) 0.1355(6)
N3 N 0.5201(2) -0.0729(2) 0.1644(3)
N4 N 0.5513(2) 0.0603(2) 0.1358(3)
O7 O 0.43827(18) 0.1209(2) 0.1804(3)
O8 O 0.44352(19) 0.0746(2) 0.3463(3)
O9 O 0.39797(19) -0.0173(2) 0.1939(3)
O10 O 0.48884(19) -0.0612(2) 0.3443(3)
O11 O 0.60543(19) -0.0147(2) 0.3083(3)
O12 O 0.56730(18) 0.1241(2) 0.3132(3)
Dy2 Dy 0.501238(11) 0.028885(13) 0.254243(16)
F19 F 0.7099(3) 0.2203(3) 0.3702(6)
F20 F 0.6230(4) 0.2500(3) 0.2881(4)
F21 F 0.6287(4) 0.2359(3) 0.4140(5)
F22 F 0.7066(4) -0.0977(5) 0.3676(8)
F23 F 0.7673(3) -0.0197(5) 0.3692(11)
F24 F 0.7190(6) -0.0605(8) 0.2697(6)
F25 F 0.3948(4) -0.1692(4) 0.4091(10)
F26 F 0.4772(7) -0.1893(4) 0.3912(8)
F27 F 0.4704(7) -0.1558(4) 0.4942(5)
F28 F 0.2893(4) -0.0934(4) 0.1240(8)
F29 F 0.2873(5) -0.0650(7) 0.2330(6)
F30 F 0.2349(3) -0.0156(4) 0.1460(8)
F31 F 0.3076(3) 0.0774(5) 0.3904(9)
F32 F 0.3688(8) 0.0966(9) 0.4890(7)
F33 F 0.3642(6) 0.1563(4) 0.4016(11)
F34 F 0.3096(5) 0.2270(4) 0.1464(11)
F35 F 0.3970(5) 0.2498(4) 0.1646(8)
F36 F 0.3534(8) 0.2171(4) 0.0607(5)
_database_code_depnum_ccdc_archive 'CCDC 844575'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_z-2
#TrackingRef 'Pr(hfaa)(bpy)2_z-2.cif'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a                   21.9910(15)
_cell_length_b                   11.9203(3)
_cell_length_c                   20.7629(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 129.584(11)
_cell_angle_gamma                90.00
_cell_volume                     4194.7
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.3670(4) 0.1143(5) 0.5307(4)
H1 H 0.4164 0.1194 0.5448
C2 C 0.3006(5) 0.1193(5) 0.4461(4)
H2 H 0.3057 0.1270 0.4052
C3 C 0.2297(5) 0.1128(8) 0.4257(5)
H3 H 0.1842 0.1161 0.3701
C4 C 0.2250(4) 0.1017(7) 0.4853(5)
H4 H 0.1755 0.0975 0.4710
C5 C 0.2930(3) 0.0960(5) 0.5704(4)
C6 C 0.2906(4) 0.0884(5) 0.6408(5)
C7 C 0.2202(5) 0.0890(10) 0.6270(7)
H7 H 0.1726 0.0884 0.5725
C8 C 0.2202(6) 0.0904(10) 0.6916(9)
H8 H 0.1728 0.0869 0.6822
C9 C 0.2914(6) 0.0973(9) 0.7728(7)
H9 H 0.2929 0.1011 0.8186
C10 C 0.3599(5) 0.0980(7) 0.7828(6)
H10 H 0.4082 0.1039 0.8364
C11 C 0.5000 0.3898(6) 0.7500
H11 H 0.5000 0.4678 0.7500
C12 C 0.4912(3) 0.3321(4) 0.8025(3)
C15 C 0.4792(7) -0.1399(6) 0.6125(5)
C16 C 0.4285(8) -0.2163(7) 0.6079(7)
H16 H 0.4153 -0.2826 0.5780
C17 C 0.3956(5) -0.1933(6) 0.6499(5)
C18 C 0.3413(7) -0.2809(7) 0.6437(7)
N1 N 0.3641(2) 0.1029(4) 0.5916(3)
N2 N 0.3587(3) 0.0905(4) 0.7167(3)
O1 O 0.4925(2) 0.2303(3) 0.8119(2)
O2 O 0.4976(3) -0.0459(3) 0.6427(3)
O3 O 0.4100(2) -0.1118(3) 0.6914(2)
F1 F 0.2749(5) -0.2421(9) 0.6122(7)
F2 F 0.3214(13) -0.3555(11) 0.5948(13)
F3 F 0.3657(7) -0.3382(12) 0.7055(7)
Pr1 Pr 0.5000 0.05380(3) 0.7500
F9 F 0.5191(4) 0.3642(5) 0.9294(4)
C13 C 0.4779(4) 0.3997(6) 0.8535(4)
F8 F 0.4961(7) 0.5043(5) 0.8612(6)
F7 F 0.4082(4) 0.3963(9) 0.8246(6)
C14 C 0.4946(8) -0.1771(8) 0.5572(7)
F5 F 0.5003(9) -0.2774(7) 0.5506(8)
F4 F 0.4721(10) -0.1212(11) 0.4987(7)
F6 F 0.5706(7) -0.1488(14) 0.5952(9)
C12 C 0.5088(3) 0.3321(4) 0.6975(3)
O1 O 0.5075(2) 0.2303(3) 0.6881(2)
F9 F 0.4809(4) 0.3642(5) 0.5706(4)
C13 C 0.5221(4) 0.3997(6) 0.6465(4)
F8 F 0.5039(7) 0.5043(5) 0.6388(6)
F7 F 0.5918(4) 0.3963(9) 0.6754(6)
C1 C 0.6330(4) 0.1143(5) 0.9693(4)
H1 H 0.5836 0.1194 0.9552
C2 C 0.6994(5) 0.1193(5) 1.0539(4)
H2 H 0.6943 0.1270 1.0948
C3 C 0.7703(5) 0.1128(8) 1.0743(5)
H3 H 0.8158 0.1161 1.1299
C4 C 0.7750(4) 0.1017(7) 1.0147(5)
H4 H 0.8245 0.0975 1.0290
C5 C 0.7070(3) 0.0960(5) 0.9296(4)
C6 C 0.7094(4) 0.0884(5) 0.8592(5)
C7 C 0.7798(5) 0.0890(10) 0.8730(7)
H7 H 0.8274 0.0884 0.9275
C8 C 0.7798(6) 0.0904(10) 0.8084(9)
H8 H 0.8272 0.0869 0.8178
C9 C 0.7086(6) 0.0973(9) 0.7272(7)
H9 H 0.7071 0.1011 0.6814
C10 C 0.6401(5) 0.0980(7) 0.7172(6)
H10 H 0.5918 0.1039 0.6636
C15 C 0.5208(7) -0.1399(6) 0.8875(5)
C16 C 0.5715(8) -0.2163(7) 0.8921(7)
H16 H 0.5847 -0.2826 0.9220
C17 C 0.6044(5) -0.1933(6) 0.8501(5)
C18 C 0.6587(7) -0.2809(7) 0.8563(7)
N1 N 0.6359(2) 0.1029(4) 0.9084(3)
N2 N 0.6413(3) 0.0905(4) 0.7833(3)
O2 O 0.5024(3) -0.0459(3) 0.8573(3)
O3 O 0.5900(2) -0.1118(3) 0.8086(2)
F1 F 0.7251(5) -0.2421(9) 0.8878(7)
F2 F 0.6786(13) -0.3555(11) 0.9052(13)
F3 F 0.6343(7) -0.3382(12) 0.7945(7)
C14 C 0.5054(8) -0.1771(8) 0.9428(7)
F5 F 0.4997(9) -0.2774(7) 0.9494(8)
F4 F 0.5279(10) -0.1212(11) 1.0013(7)
F6 F 0.4294(7) -0.1488(14) 0.9048(9)

#END


_database_code_depnum_ccdc_archive 'CCDC 844576'
