#------------------------------------------------------------------------------ #$Date: 2025-08-20 20:19:29 +0100 (Wed, 20 Aug 2025) $ #$Revision: 301836 $ #$URL: svn://www.crystallography.net/cod/cif/4/30/05/4300522.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4300522 loop_ _publ_author_name ' Habermehl, Nicolle C.' ' Angus, Patricia M.' ' Kilah, Nathan L.' 'Nor\'en, Lasse' 'Rae, A. David' ' Willis, Anthony C. ' ' S. Bruce Wild ' _publ_section_title ; Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases ; _journal_name_full 'Inorganic Chemistry' _journal_paper_doi 10.1021/ic051478c _journal_year 2006 _chemical_formula_moiety ' C40 H52 Cu2 N8, 2(F6 P)' _chemical_formula_sum 'C40 H52 Cu2 F12 N8 P2' _chemical_formula_weight 1061.92 _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 106.8130(5) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 17.9164(2) _cell_length_b 10.47810(10) _cell_length_c 26.2098(2) _cell_measurement_temperature 200 _cell_volume 4710.04(8) _diffrn_ambient_temperature 200 _exptl_crystal_density_diffrn 1.497 _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius ; _cod_original_sg_symbol_H-M 'P 21/c' _cod_original_formula_sum ' C40 H52 Cu2 F12 N8 P2 ' _cod_database_code 4300522 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z -x,y+1/2,-z+1/2 x,-y+1/2,z+1/2 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_occupancy _atom_site_adp_type _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_attached_hydrogens Cu1 Cu 0.744148(16) 0.36261(3) 0.693124(11) 0.0364 1.0000 Uani . . . . . . Cu2 Cu 0.786232(17) 0.32050(3) 0.568014(11) 0.0366 1.0000 Uani . . . . . . P1 P 0.61112(4) 0.64806(7) 0.40553(3) 0.0489 1.0000 Uani . . . . . . P2 P 0.94805(4) 0.76288(7) 0.65025(3) 0.0464 1.0000 Uani . . . . . . F1 F 0.63595(14) 0.6299(3) 0.35296(9) 0.0956 1.0000 Uani . . . . . . F2 F 0.53416(10) 0.56631(19) 0.38181(8) 0.0719 1.0000 Uani . . . . . . F3 F 0.65735(13) 0.5241(2) 0.42921(12) 0.1148 1.0000 Uani . . . . . . F4 F 0.68733(10) 0.73179(19) 0.42982(8) 0.0737 1.0000 Uani . . . . . . F5 F 0.56607(12) 0.7730(2) 0.38137(12) 0.1043 1.0000 Uani . . . . . . F6 F 0.58607(17) 0.6661(3) 0.45770(9) 0.1283 1.0000 Uani . . . . . . F7 F 0.95179(11) 0.63427(18) 0.61878(8) 0.0728 1.0000 Uani . . . . . . F8 F 0.97942(14) 0.6887(2) 0.70483(7) 0.0885 1.0000 Uani . . . . . . F9 F 1.03535(11) 0.7925(2) 0.65186(10) 0.0923 1.0000 Uani . . . . . . F10 F 0.91639(18) 0.8354(2) 0.59573(9) 0.1162 1.0000 Uani . . . . . . F11 F 0.86128(11) 0.7320(3) 0.64870(9) 0.0941 1.0000 Uani . . . . . . F12 F 0.94478(11) 0.89064(19) 0.68259(9) 0.0829 1.0000 Uani . . . . . . N1 N 0.69631(10) 0.18303(18) 0.69365(7) 0.0344 1.0000 Uani . . . . . . N2 N 0.65572(10) 0.37637(18) 0.62561(7) 0.0331 1.0000 Uani . . . . . . N3 N 0.75509(11) 0.50487(17) 0.56521(7) 0.0335 1.0000 Uani . . . . . . N4 N 0.84293(11) 0.38503(19) 0.51442(7) 0.0372 1.0000 Uani . . . . . . N5 N 0.74437(11) 0.48746(18) 0.75511(7) 0.0370 1.0000 Uani . . . . . . N6 N 0.85710(11) 0.40955(18) 0.71408(7) 0.0356 1.0000 Uani . . . . . . N7 N 0.84353(10) 0.20752(18) 0.62930(7) 0.0353 1.0000 Uani . . . . . . N8 N 0.71860(10) 0.15823(16) 0.54715(7) 0.0332 1.0000 Uani . . . . . . C1 C 0.71858(14) 0.0860(2) 0.72832(10) 0.0434 1.0000 Uani . . . . . . C2 C 0.67528(18) -0.0262(3) 0.72177(13) 0.0606 1.0000 Uani . . . . . . C3 C 0.60908(18) -0.0388(3) 0.67928(15) 0.0678 1.0000 Uani . . . . . . C4 C 0.58643(15) 0.0600(3) 0.64388(12) 0.0536 1.0000 Uani . . . . . . C5 C 0.63125(13) 0.1691(2) 0.65186(9) 0.0380 1.0000 Uani . . . . . . C6 C 0.61226(13) 0.2786(2) 0.61585(9) 0.0380 1.0000 Uani . . . . . . C7 C 0.63444(14) 0.4895(2) 0.59166(9) 0.0399 1.0000 Uani . . . . . . C8 C 0.70547(14) 0.5684(2) 0.59283(9) 0.0385 1.0000 Uani . . . . . . C9 C 0.78452(13) 0.5725(2) 0.53562(9) 0.0373 1.0000 Uani . . . . . . C10 C 0.83344(13) 0.5117(2) 0.50657(9) 0.0377 1.0000 Uani . . . . . . C11 C 0.86699(15) 0.5787(3) 0.47327(10) 0.0472 1.0000 Uani . . . . . . C12 C 0.91102(16) 0.5120(3) 0.44693(11) 0.0549 1.0000 Uani . . . . . . C13 C 0.92015(15) 0.3830(3) 0.45430(11) 0.0519 1.0000 Uani . . . . . . C14 C 0.88524(14) 0.3202(3) 0.48844(10) 0.0448 1.0000 Uani . . . . . . C15 C 0.68673(15) 0.5271(2) 0.77421(10) 0.0434 1.0000 Uani . . . . . . C16 C 0.70280(19) 0.5988(3) 0.82089(12) 0.0623 1.0000 Uani . . . . . . C17 C 0.7785(2) 0.6315(4) 0.84735(13) 0.0726 1.0000 Uani . . . . . . C18 C 0.83747(18) 0.5939(3) 0.82675(12) 0.0597 1.0000 Uani . . . . . . C19 C 0.81876(15) 0.5218(2) 0.78071(9) 0.0421 1.0000 Uani . . . . . . C20 C 0.87724(14) 0.4800(2) 0.75545(9) 0.0402 1.0000 Uani . . . . . . C21 C 0.91697(13) 0.3759(2) 0.68836(10) 0.0414 1.0000 Uani . . . . . . C22 C 0.91336(13) 0.2361(2) 0.67349(10) 0.0430 1.0000 Uani . . . . . . C23 C 0.81478(14) 0.0955(2) 0.62679(9) 0.0393 1.0000 Uani . . . . . . C24 C 0.74716(14) 0.0624(2) 0.58199(9) 0.0384 1.0000 Uani . . . . . . C25 C 0.71657(17) -0.0595(2) 0.57581(12) 0.0543 1.0000 Uani . . . . . . C26 C 0.6538(2) -0.0839(3) 0.53198(14) 0.0704 1.0000 Uani . . . . . . C27 C 0.62366(18) 0.0127(3) 0.49696(13) 0.0621 1.0000 Uani . . . . . . C28 C 0.65707(14) 0.1342(2) 0.50484(9) 0.0408 1.0000 Uani . . . . . . C29 C 0.79060(16) 0.1082(3) 0.77474(10) 0.0496 1.0000 Uani . . . . . . C30 C 0.7666(2) 0.1572(4) 0.82245(13) 0.0748 1.0000 Uani . . . . . . C31 C 0.84213(19) -0.0102(3) 0.78969(14) 0.0681 1.0000 Uani . . . . . . C32 C 0.89444(18) 0.1797(3) 0.49965(13) 0.0592 1.0000 Uani . . . . . . C33 C 0.9723(2) 0.1520(4) 0.53919(17) 0.0842 1.0000 Uani . . . . . . C34 C 0.8804(3) 0.0986(4) 0.44955(18) 0.0903 1.0000 Uani . . . . . . C35 C 0.60451(15) 0.4945(3) 0.74207(10) 0.0461 1.0000 Uani . . . . . . C36 C 0.5566(3) 0.6109(4) 0.7261(2) 0.1318 1.0000 Uani . . . . . . C37 C 0.5662(3) 0.4036(6) 0.7696(2) 0.1375 1.0000 Uani . . . . . . C38 C 0.62802(15) 0.2411(2) 0.46566(10) 0.0452 1.0000 Uani . . . . . . C39 C 0.54002(17) 0.2584(3) 0.45080(14) 0.0657 1.0000 Uani . . . . . . C40 C 0.6543(3) 0.2210(4) 0.41626(14) 0.0851 1.0000 Uani . . . . . . H21 H 0.69278(18) -0.0975(3) 0.74786(13) 0.0685 1.0000 Uiso R . . . . . H31 H 0.57734(18) -0.1188(3) 0.67464(15) 0.0757 1.0000 Uiso R . . . . . H41 H 0.53892(15) 0.0528(3) 0.61255(12) 0.0614 1.0000 Uiso R . . . . . H61 H 0.56541(13) 0.2767(2) 0.58388(9) 0.0449 1.0000 Uiso R . . . . . H71 H 0.60949(14) 0.4617(2) 0.55409(9) 0.0479 1.0000 Uiso R . . . . . H72 H 0.59672(14) 0.5423(2) 0.60422(9) 0.0479 1.0000 Uiso R . . . . . H81 H 0.73615(14) 0.5812(2) 0.63093(9) 0.0476 1.0000 Uiso R . . . . . H82 H 0.68886(14) 0.6531(2) 0.57580(9) 0.0476 1.0000 Uiso R . . . . . H91 H 0.77419(13) 0.6663(2) 0.53219(9) 0.0426 1.0000 Uiso R . . . . . H111 H 0.85891(15) 0.6729(3) 0.46836(10) 0.0573 1.0000 Uiso R . . . . . H121 H 0.93625(16) 0.5578(3) 0.42281(11) 0.0658 1.0000 Uiso R . . . . . H131 H 0.95176(15) 0.3335(3) 0.43532(11) 0.0633 1.0000 Uiso R . . . . . H161 H 0.65933(19) 0.6265(3) 0.83517(12) 0.0747 1.0000 Uiso R . . . . . H171 H 0.7909(2) 0.6814(4) 0.88129(13) 0.0839 1.0000 Uiso R . . . . . H181 H 0.89287(18) 0.6183(3) 0.84451(12) 0.0683 1.0000 Uiso R . . . . . H201 H 0.93293(14) 0.5063(2) 0.77059(9) 0.0471 1.0000 Uiso R . . . . . H211 H 0.96949(13) 0.3957(2) 0.71330(10) 0.0497 1.0000 Uiso R . . . . . H212 H 0.90849(13) 0.4279(2) 0.65517(10) 0.0497 1.0000 Uiso R . . . . . H221 H 0.96066(13) 0.2129(2) 0.66255(10) 0.0496 1.0000 Uiso R . . . . . H222 H 0.91203(13) 0.1843(2) 0.70527(10) 0.0496 1.0000 Uiso R . . . . . H231 H 0.83804(14) 0.0313(2) 0.65520(9) 0.0461 1.0000 Uiso R . . . . . H251 H 0.73971(17) -0.1277(2) 0.60236(12) 0.0617 1.0000 Uiso R . . . . . H261 H 0.6297(2) -0.1708(3) 0.52617(14) 0.0759 1.0000 Uiso R . . . . . H271 H 0.57815(18) -0.0037(3) 0.46503(13) 0.0671 1.0000 Uiso R . . . . . H291 H 0.82329(16) 0.1738(3) 0.76362(10) 0.0578 1.0000 Uiso R . . . . . H301 H 0.7336(2) 0.2352(4) 0.81194(13) 0.0897 1.0000 Uiso R . . . . . H302 H 0.8140(2) 0.1786(4) 0.85236(13) 0.0897 1.0000 Uiso R . . . . . H303 H 0.7360(2) 0.0893(4) 0.83424(13) 0.0897 1.0000 Uiso R . . . . . H311 H 0.85777(19) -0.0401(3) 0.75804(14) 0.0797 1.0000 Uiso R . . . . . H312 H 0.88984(19) 0.0104(3) 0.81945(14) 0.0797 1.0000 Uiso R . . . . . H313 H 0.81191(19) -0.0789(3) 0.80134(14) 0.0797 1.0000 Uiso R . . . . . H321 H 0.85287(18) 0.1528(3) 0.51593(13) 0.0754 1.0000 Uiso R . . . . . H331 H 0.9785(2) 0.2051(4) 0.57186(17) 0.0975 1.0000 Uiso R . . . . . H332 H 1.0141(2) 0.1745(4) 0.52243(17) 0.0975 1.0000 Uiso R . . . . . H333 H 0.9765(2) 0.0596(4) 0.54916(17) 0.0975 1.0000 Uiso R . . . . . H341 H 0.8277(3) 0.1178(4) 0.42464(18) 0.1079 1.0000 Uiso R . . . . . H342 H 0.9214(3) 0.1205(4) 0.43202(18) 0.1079 1.0000 Uiso R . . . . . H343 H 0.8838(3) 0.0057(4) 0.45875(18) 0.1079 1.0000 Uiso R . . . . . H351 H 0.60733(15) 0.4495(3) 0.70906(10) 0.0570 1.0000 Uiso R . . . . . H361 H 0.5840(3) 0.6688(4) 0.7071(2) 0.1277 1.0000 Uiso R . . . . . H362 H 0.5499(3) 0.6553(4) 0.7582(2) 0.1277 1.0000 Uiso R . . . . . H363 H 0.5042(3) 0.5878(4) 0.7016(2) 0.1277 1.0000 Uiso R . . . . . H371 H 0.5997(3) 0.3260(6) 0.7801(2) 0.1506 1.0000 Uiso R . . . . . H372 H 0.5597(3) 0.4458(6) 0.8023(2) 0.1506 1.0000 Uiso R . . . . . H373 H 0.5140(3) 0.3783(6) 0.7457(2) 0.1506 1.0000 Uiso R . . . . . H381 H 0.65138(15) 0.3223(2) 0.48327(10) 0.0526 1.0000 Uiso R . . . . . H391 H 0.52412(17) 0.2727(3) 0.48391(14) 0.0757 1.0000 Uiso R . . . . . H392 H 0.51427(17) 0.1794(3) 0.43248(14) 0.0757 1.0000 Uiso R . . . . . H393 H 0.52377(17) 0.3332(3) 0.42641(14) 0.0757 1.0000 Uiso R . . . . . H401 H 0.7123(3) 0.2111(4) 0.42672(14) 0.1079 1.0000 Uiso R . . . . . H402 H 0.6291(3) 0.1418(4) 0.39776(14) 0.1079 1.0000 Uiso R . . . . . H403 H 0.6386(3) 0.2956(4) 0.39170(14) 0.1079 1.0000 Uiso R . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cu1 0.03362(13) 0.03607(14) 0.03473(13) -0.00332(12) 0.00247(10) -0.00408(12) Cu2 0.03982(15) 0.02818(13) 0.03944(14) 0.00392(12) 0.00770(11) 0.00262(11) P1 0.0417(3) 0.0516(4) 0.0494(4) 0.0097(3) 0.0071(3) -0.0041(3) P2 0.0370(3) 0.0494(4) 0.0470(4) -0.0037(3) 0.0031(3) -0.0005(3) F1 0.0997(16) 0.1164(18) 0.0840(14) -0.0171(13) 0.0475(13) -0.0158(14) F2 0.0543(10) 0.0738(12) 0.0775(12) -0.0059(10) 0.0032(9) -0.0154(9) F3 0.0752(14) 0.0761(15) 0.162(2) 0.0571(16) -0.0145(14) -0.0048(11) F4 0.0528(10) 0.0750(12) 0.0853(13) 0.0092(10) 0.0074(9) -0.0219(9) F5 0.0585(12) 0.0689(13) 0.176(2) 0.0339(15) 0.0191(13) 0.0176(10) F6 0.139(2) 0.188(3) 0.0767(14) -0.0511(17) 0.0610(15) -0.097(2) F7 0.0782(12) 0.0648(11) 0.0741(12) -0.0244(10) 0.0199(10) -0.0102(9) F8 0.1081(16) 0.0884(15) 0.0524(10) 0.0064(10) -0.0031(10) 0.0130(12) F9 0.0571(11) 0.0995(16) 0.1280(18) -0.0398(14) 0.0387(12) -0.0253(11) F10 0.153(2) 0.0980(18) 0.0715(14) 0.0315(13) -0.0088(14) -0.0071(16) F11 0.0455(10) 0.132(2) 0.1045(16) -0.0341(15) 0.0208(10) -0.0222(11) F12 0.0569(10) 0.0679(12) 0.1067(15) -0.0315(11) -0.0034(10) 0.0151(9) N1 0.0321(9) 0.0338(9) 0.0368(9) 0.0006(8) 0.0089(7) -0.0004(8) N2 0.0312(9) 0.0343(10) 0.0326(9) 0.0011(8) 0.0072(7) 0.0046(8) N3 0.0366(9) 0.0282(9) 0.0324(9) 0.0022(7) 0.0049(7) 0.0016(7) N4 0.0340(9) 0.0391(11) 0.0356(9) -0.0007(8) 0.0054(8) 0.0015(8) N5 0.0413(10) 0.0317(9) 0.0359(10) -0.0029(8) 0.0079(8) -0.0013(8) N6 0.0339(9) 0.0344(9) 0.0343(9) 0.0009(8) 0.0033(8) -0.0007(8) N7 0.0350(10) 0.0342(10) 0.0330(9) -0.0002(8) 0.0039(8) 0.0080(8) N8 0.0343(9) 0.0284(9) 0.0342(9) -0.0015(7) 0.0059(7) 0.0042(7) C1 0.0418(13) 0.0401(13) 0.0480(13) 0.0068(11) 0.0128(11) -0.0005(10) C2 0.0599(17) 0.0431(15) 0.0717(19) 0.0185(14) 0.0077(15) -0.0083(13) C3 0.0548(17) 0.0462(16) 0.093(2) 0.0096(16) 0.0065(16) -0.0193(13) C4 0.0420(14) 0.0447(15) 0.0646(17) -0.0006(13) 0.0002(12) -0.0105(11) C5 0.0325(11) 0.0363(12) 0.0428(12) -0.0030(10) 0.0071(9) -0.0018(9) C6 0.0294(10) 0.0422(12) 0.0390(12) -0.0036(10) 0.0043(9) 0.0004(9) C7 0.0374(12) 0.0408(13) 0.0390(12) 0.0070(10) 0.007(1) 0.0084(10) C8 0.0455(13) 0.0286(11) 0.0406(12) 0.0021(9) 0.0112(10) 0.0066(9) C9 0.0391(12) 0.0308(11) 0.0366(11) 0.0042(9) 0.0024(9) 0.0010(9) C10 0.0361(11) 0.0408(12) 0.0317(11) 0.0027(9) 0.0026(9) -0.0022(9) C11 0.0500(14) 0.0494(15) 0.0411(13) 0.0078(11) 0.0113(11) -0.0060(12) C12 0.0491(15) 0.075(2) 0.0397(13) 0.0027(13) 0.0107(12) -0.0132(14) C13 0.0429(13) 0.0701(19) 0.0439(13) -0.0098(13) 0.0142(11) -0.0030(13) C14 0.0381(12) 0.0551(15) 0.0406(12) -0.0039(11) 0.0102(10) 0.0008(11) C15 0.0491(14) 0.0396(13) 0.0435(13) -0.0039(10) 0.0167(11) 0.0014(11) C16 0.0674(19) 0.0650(19) 0.0578(17) -0.0242(15) 0.0235(15) -0.0018(15) C17 0.079(2) 0.079(2) 0.0575(17) -0.0355(17) 0.0155(16) -0.0090(18) C18 0.0590(17) 0.0618(18) 0.0528(16) -0.0208(14) 0.0073(13) -0.0111(14) C19 0.0457(13) 0.0383(13) 0.0373(12) -0.0066(10) 0.0039(10) -0.0028(10) C20 0.0366(12) 0.0372(12) 0.0403(12) -0.0025(10) 0.0009(10) -0.0046(10) C21 0.0326(11) 0.0474(14) 0.0409(12) -0.0055(11) 0.0054(9) -0.0037(10) C22 0.0328(11) 0.0488(14) 0.0409(12) 0.0003(11) 0.0000(10) 0.0085(10) C23 0.0435(13) 0.0324(11) 0.0391(12) 0.0042(9) 0.0074(10) 0.0116(10) C24 0.0420(12) 0.0298(11) 0.0419(12) 0.0017(9) 0.0098(10) 0.0062(9) C25 0.0597(17) 0.0285(12) 0.0648(17) 0.0057(12) 0.0022(14) 0.0018(11) C26 0.072(2) 0.0282(13) 0.091(2) 0.0014(14) -0.0080(17) -0.0068(13) C27 0.0597(17) 0.0379(14) 0.0691(18) -0.0047(13) -0.0125(14) -0.0066(12) C28 0.0410(12) 0.0330(11) 0.0419(12) -0.0039(10) 0.0015(10) 0.0024(10) C29 0.0495(14) 0.0500(15) 0.0428(13) 0.0122(11) 0.0030(11) -0.0024(12) C30 0.088(2) 0.077(2) 0.0504(16) -0.0014(16) 0.0063(16) 0.0153(19) C31 0.0588(18) 0.072(2) 0.0657(19) 0.0153(16) 0.0051(15) 0.0135(16) C32 0.0582(17) 0.0502(16) 0.078(2) -0.0013(15) 0.0345(15) 0.0102(14) C33 0.084(2) 0.069(2) 0.093(3) 0.018(2) 0.016(2) 0.0262(19) C34 0.100(3) 0.060(2) 0.110(3) -0.024(2) 0.029(2) 0.008(2) C35 0.0468(13) 0.0479(14) 0.0469(14) -0.0051(11) 0.0189(11) 0.0030(11) C36 0.120(4) 0.068(3) 0.147(4) -0.020(3) -0.058(3) 0.035(3) C37 0.072(3) 0.187(6) 0.131(4) 0.075(4) -0.006(3) -0.055(3) C38 0.0447(13) 0.0400(13) 0.0426(13) 0.0023(10) -0.0003(10) 0.0016(11) C39 0.0506(16) 0.0611(19) 0.0709(19) 0.0128(16) -0.0056(14) 0.0063(14) C40 0.107(3) 0.096(3) 0.0567(19) 0.0136(19) 0.030(2) 0.026(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_site_symmetry_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cu1 . N1 . 2.0694(19) yes Cu1 . N2 . 2.0101(17) yes Cu1 . N5 . 2.0850(19) yes Cu1 . N6 . 1.9991(18) yes Cu2 . N3 . 2.0062(18) yes Cu2 . N4 . 2.071(2) yes Cu2 . N7 . 2.0204(18) yes Cu2 . N8 . 2.0676(18) yes P1 . F1 . 1.577(2) yes P1 . F2 . 1.5893(18) yes P1 . F3 . 1.569(2) yes P1 . F4 . 1.5926(18) yes P1 . F5 . 1.571(2) yes P1 . F6 . 1.569(2) yes P2 . F7 . 1.5914(19) yes P2 . F8 . 1.581(2) yes P2 . F9 . 1.5832(19) yes P2 . F10 . 1.572(2) yes P2 . F11 . 1.577(2) yes P2 . F12 . 1.5946(19) yes N1 . C1 . 1.345(3) yes N1 . C5 . 1.357(3) yes N2 . C6 . 1.267(3) yes N2 . C7 . 1.465(3) yes N3 . C8 . 1.459(3) yes N3 . C9 . 1.272(3) yes N4 . C10 . 1.347(3) yes N4 . C14 . 1.341(3) yes N5 . C15 . 1.337(3) yes N5 . C19 . 1.356(3) yes N6 . C20 . 1.275(3) yes N6 . C21 . 1.466(3) yes N7 . C22 . 1.469(3) yes N7 . C23 . 1.276(3) yes N8 . C24 . 1.354(3) yes N8 . C28 . 1.342(3) yes C1 . C2 . 1.392(4) yes C1 . C29 . 1.514(4) yes C2 . C3 . 1.379(4) yes C2 . H21 . 1.000 no C3 . C4 . 1.371(4) yes C3 . H31 . 1.000 no C4 . C5 . 1.378(3) yes C4 . H41 . 1.000 no C5 . C6 . 1.462(3) yes C6 . H61 . 1.000 no C7 . C8 . 1.510(3) yes C7 . H71 . 1.000 no C7 . H72 . 1.000 no C8 . H81 . 1.000 no C8 . H82 . 1.000 no C9 . C10 . 1.462(3) yes C9 . H91 . 1.000 no C10 . C11 . 1.385(3) yes C11 . C12 . 1.380(4) yes C11 . H111 . 1.000 no C12 . C13 . 1.368(4) yes C12 . H121 . 1.000 no C13 . C14 . 1.396(4) yes C13 . H131 . 1.000 no C14 . C32 . 1.501(4) yes C15 . C16 . 1.393(4) yes C15 . C35 . 1.509(4) yes C16 . C17 . 1.376(5) yes C16 . H161 . 1.000 no C17 . C18 . 1.376(5) yes C17 . H171 . 1.000 no C18 . C19 . 1.381(4) yes C18 . H181 . 1.000 no C19 . C20 . 1.459(4) yes C20 . H201 . 1.000 no C21 . C22 . 1.512(4) yes C21 . H211 . 1.000 no C21 . H212 . 1.000 no C22 . H221 . 1.000 no C22 . H222 . 1.000 no C23 . C24 . 1.464(3) yes C23 . H231 . 1.000 no C24 . C25 . 1.380(3) yes C25 . C26 . 1.379(4) yes C25 . H251 . 1.000 no C26 . C27 . 1.368(4) yes C26 . H261 . 1.000 no C27 . C28 . 1.396(4) yes C27 . H271 . 1.000 no C28 . C38 . 1.507(3) yes C29 . C30 . 1.524(4) yes C29 . C31 . 1.528(4) yes C29 . H291 . 1.000 no C30 . H301 . 1.000 no C30 . H302 . 1.000 no C30 . H303 . 1.000 no C31 . H311 . 1.000 no C31 . H312 . 1.000 no C31 . H313 . 1.000 no C32 . C33 . 1.506(5) yes C32 . C34 . 1.523(5) yes C32 . H321 . 1.000 no C33 . H331 . 1.000 no C33 . H332 . 1.000 no C33 . H333 . 1.000 no C34 . H341 . 1.000 no C34 . H342 . 1.000 no C34 . H343 . 1.000 no C35 . C36 . 1.480(4) yes C35 . C37 . 1.478(5) yes C35 . H351 . 1.000 no C36 . H361 . 1.000 no C36 . H362 . 1.000 no C36 . H363 . 1.000 no C37 . H371 . 1.000 no C37 . H372 . 1.000 no C37 . H373 . 1.000 no C38 . C39 . 1.522(4) yes C38 . C40 . 1.515(4) yes C38 . H381 . 1.000 no C39 . H391 . 1.000 no C39 . H392 . 1.000 no C39 . H393 . 1.000 no C40 . H401 . 1.000 no C40 . H402 . 1.000 no C40 . H403 . 1.000 no loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 PubChem 139126162