#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:42:56 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180233 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/19/7111999.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_7111999
loop_
_publ_author_name
'Mohamed R. Saber'
'Kim R. Dunbar'
_publ_section_title
;
 Trigonal bipyramidal 5d-4f molecules with SMM behavior
;
_journal_name_full               Chem.Commun.
_journal_page_first              2177
_journal_paper_doi               10.1039/c3cc49124b
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         C88H78N15O27P6Re2Dy3,2C8H20N),4(C2H3N)
_chemical_formula_sum            'C112 H130 Dy3 N21 O27 P6 Re2'
_chemical_formula_weight         3248.09
_chemical_melting_point          300
_chemical_name_common            3
_chemical_name_systematic
;
(Et4N)2[(triphosRe(CN)3)2(Dy(NO3)3)3]?4CH3CN 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.08(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.167(7)
_cell_length_b                   13.819(3)
_cell_length_c                   26.339(5)
_cell_measurement_temperature    150(2)
_cell_volume                     12769(5)
_computing_cell_refinement       'SAINT v7.60A (Bruker 2008)'
_computing_data_collection       'APEXII (Bruker 2008)'
_computing_data_reduction        'SAINT v7.60A, XPREP v2008/2 (Bruker 2008)'
_computing_molecular_graphics    'Diamond (Pennington, 2013)'
_computing_publication_material  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0357
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            63978
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    3.775
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_correction_T_min  0.3144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker AXS Scale, SADABS (Bruker 2008)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             6412
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         6.530
_refine_diff_density_min         -2.641
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     779
_refine_ls_number_reflns         12528
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0653P)²+232.0954P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1308
_refine_ls_wR_factor_ref         0.1563
_reflns_number_gt                9122
_reflns_number_total             12528
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc49124b.txt
_cod_data_source_block           F:\MS130Dy\MS130\WORK\130sc.CIF
_cod_original_cell_volume        12768(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7111999
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Re1 Re 0.126784(9) 0.70580(2) 0.323610(14) 0.03958(11) Uani 1 1 d .
Dy1 Dy -0.014600(12) 0.79843(3) 0.348684(17) 0.04459(13) Uani 1 1 d .
Dy2 Dy 0.0000 0.48125(4) 0.2500 0.03728(15) Uani 1 2 d S
P1 P 0.16119(7) 0.61562(18) 0.39968(10) 0.0495(6) Uani 1 1 d .
P2 P 0.17814(7) 0.65669(18) 0.28513(11) 0.0473(6) Uani 1 1 d .
P3 P 0.16698(7) 0.84252(18) 0.35888(10) 0.0489(6) Uani 1 1 d .
C2 C 0.0884(2) 0.5941(6) 0.2973(3) 0.042(2) Uani 1 1 d .
C1 C 0.0810(3) 0.7557(6) 0.3502(3) 0.043(2) Uani 1 1 d .
C3 C 0.0949(2) 0.7681(6) 0.2558(4) 0.044(2) Uani 1 1 d .
N1 N 0.0524(2) 0.7813(5) 0.3579(3) 0.0451(18) Uani 1 1 d .
N4 N 0.0206(3) 0.8966(6) 0.4439(3) 0.058(2) Uani 1 1 d .
O12 O 0.03891(19) 0.3418(5) 0.2852(3) 0.0541(17) Uani 1 1 d .
C10 C 0.1717(3) 0.4847(6) 0.3941(4) 0.049(2) Uani 1 1 d .
O13 O 0.03964(19) 0.3855(5) 0.2062(3) 0.0548(16) Uani 1 1 d .
O6 O 0.0107(2) 0.8086(5) 0.4434(3) 0.0585(18) Uani 1 1 d .
N8 N 0.0523(2) 0.3290(6) 0.2446(4) 0.055(2) Uani 1 1 d .
O14 O 0.0762(2) 0.2667(6) 0.2436(4) 0.084(3) Uani 1 1 d .
O10 O 0.0365(3) 0.9371(6) 0.4847(3) 0.084(3) Uani 1 1 d .
C20 C 0.2181(3) 0.8134(7) 0.3680(5) 0.064(3) Uani 1 1 d .
H20A H 0.2255 0.8271 0.3349 0.077 Uiso 1 1 calc R
H20B H 0.2332 0.8572 0.3951 0.077 Uiso 1 1 calc R
C16 C 0.2093(3) 0.6684(8) 0.4247(4) 0.063(3) Uani 1 1 d .
H16A H 0.2071 0.7224 0.4485 0.076 Uiso 1 1 calc R
H16B H 0.2257 0.6185 0.4459 0.076 Uiso 1 1 calc R
C11 C 0.1514(3) 0.4298(7) 0.3523(4) 0.046(2) Uani 1 1 d .
H11 H 0.1325 0.4599 0.3255 0.055 Uiso 1 1 calc R
C17 C 0.2294(3) 0.7062(8) 0.3845(5) 0.070(3) Uani 1 1 d .
C19 C 0.2235(3) 0.6406(8) 0.3354(4) 0.061(3) Uani 1 1 d .
H19A H 0.2252 0.5723 0.3471 0.073 Uiso 1 1 calc R
H19B H 0.2449 0.6522 0.3187 0.073 Uiso 1 1 calc R
C13 C 0.1852(3) 0.2856(8) 0.3883(5) 0.062(3) Uani 1 1 d .
H13 H 0.1897 0.2182 0.3863 0.074 Uiso 1 1 calc R
C14 C 0.2048(3) 0.3379(8) 0.4293(5) 0.072(3) Uani 1 1 d .
H14 H 0.2233 0.3067 0.4562 0.086 Uiso 1 1 calc R
O5 O 0.0133(3) 0.9392(5) 0.3997(3) 0.072(2) Uani 1 1 d .
C15 C 0.1986(3) 0.4371(8) 0.4331(5) 0.070(3) Uani 1 1 d .
H15 H 0.2127 0.4724 0.4624 0.084 Uiso 1 1 calc R
C12 C 0.1584(3) 0.3312(7) 0.3493(4) 0.054(2) Uani 1 1 d .
H12 H 0.1446 0.2950 0.3202 0.065 Uiso 1 1 calc R
O9 O 0.0142(2) 0.4995(5) 0.3508(3) 0.0611(19) Uani 1 1 d .
N3 N 0.0722(2) 0.7945(6) 0.2184(3) 0.0498(19) Uani 1 1 d .
N2 N 0.0628(2) 0.5423(5) 0.2819(3) 0.0454(18) Uani 1 1 d .
O2 O 0.0044(3) 0.6327(5) 0.3917(3) 0.080(3) Uani 1 1 d .
C21 C 0.1724(3) 0.5431(7) 0.2489(4) 0.051(2) Uani 1 1 d .
N7 N 0.0034(3) 0.5860(6) 0.3508(3) 0.055(2) Uani 1 1 d .
C33 C 0.1598(3) 0.9532(7) 0.3196(4) 0.050(2) Uani 1 1 d .
C38 C 0.1215(3) 0.9821(7) 0.2999(4) 0.051(2) Uani 1 1 d .
H38 H 0.1015 0.9440 0.3071 0.061 Uiso 1 1 calc R
O1 O -0.00886(18) 0.6281(4) 0.3071(2) 0.0471(15) Uani 1 1 d .
C32 C 0.1727(3) 0.8189(7) 0.2173(4) 0.055(2) Uani 1 1 d .
H32 H 0.1510 0.8367 0.2296 0.066 Uiso 1 1 calc R
C27 C 0.1930(3) 0.7368(8) 0.2368(4) 0.055(3) Uani 1 1 d .
C44 C 0.1383(3) 0.8664(7) 0.4493(4) 0.060(3) Uani 1 1 d .
H44 H 0.1221 0.8135 0.4361 0.072 Uiso 1 1 calc R
C26 C 0.1372(3) 0.5223(9) 0.2174(4) 0.064(3) Uani 1 1 d .
H26 H 0.1171 0.5675 0.2154 0.077 Uiso 1 1 calc R
C34 C 0.1887(3) 1.0076(7) 0.3075(5) 0.064(3) Uani 1 1 d .
H34 H 0.2146 0.9885 0.3198 0.077 Uiso 1 1 calc R
C39 C 0.1649(3) 0.8962(7) 0.4226(4) 0.056(3) Uani 1 1 d .
C31 C 0.1835(3) 0.8760(8) 0.1797(4) 0.058(3) Uani 1 1 d .
H31 H 0.1691 0.9318 0.1663 0.069 Uiso 1 1 calc R
C4 C 0.1408(3) 0.6120(7) 0.4565(4) 0.057(3) Uani 1 1 d .
O8 O -0.0666(3) 0.7340(8) 0.3884(3) 0.081(2) Uani 1 1 d .
O7 O -0.0623(3) 0.8933(8) 0.3789(4) 0.095(3) Uani 1 1 d .
C40 C 0.1890(4) 0.9743(8) 0.4425(5) 0.073(3) Uani 1 1 d .
H40 H 0.2074 0.9954 0.4247 0.087 Uiso 1 1 calc R
N6 N -0.0759(4) 0.8182(12) 0.3939(4) 0.090(4) Uani 1 1 d .
C9 C 0.1019(4) 0.6041(8) 0.4484(5) 0.071(3) Uani 1 1 d .
H9 H 0.0869 0.5971 0.4136 0.085 Uiso 1 1 calc R
C28 C 0.2239(3) 0.7112(10) 0.2179(6) 0.082(4) Uani 1 1 d .
H28 H 0.2377 0.6540 0.2303 0.099 Uiso 1 1 calc R
C30 C 0.2152(3) 0.8518(9) 0.1620(5) 0.069(3) Uani 1 1 d .
H30 H 0.2230 0.8922 0.1374 0.083 Uiso 1 1 calc R
C41 C 0.1860(4) 1.0202(10) 0.4874(5) 0.085(4) Uani 1 1 d .
H41 H 0.2026 1.0726 0.5006 0.102 Uiso 1 1 calc R
C37 C 0.1129(3) 1.0657(7) 0.2703(4) 0.059(3) Uani 1 1 d .
H37 H 0.0872 1.0855 0.2579 0.071 Uiso 1 1 calc R
C22 C 0.2018(4) 0.4752(9) 0.2510(5) 0.075(3) Uani 1 1 d .
H22 H 0.2267 0.4868 0.2721 0.090 Uiso 1 1 calc R
C35 C 0.1792(3) 1.0919(8) 0.2764(5) 0.066(3) Uani 1 1 d .
H35 H 0.1988 1.1293 0.2677 0.080 Uiso 1 1 calc R
C5 C 0.1622(5) 0.6185(10) 0.5079(4) 0.087(4) Uani 1 1 d .
H5 H 0.1892 0.6228 0.5152 0.105 Uiso 1 1 calc R
C36 C 0.1419(3) 1.1202(7) 0.2588(5) 0.064(3) Uani 1 1 d .
H36 H 0.1360 1.1775 0.2386 0.077 Uiso 1 1 calc R
C42 C 0.1594(4) 0.9914(9) 0.5139(5) 0.084(4) Uani 1 1 d .
H42 H 0.1574 1.0247 0.5447 0.101 Uiso 1 1 calc R
C29 C 0.2354(4) 0.7696(12) 0.1798(7) 0.099(5) Uani 1 1 d .
H29 H 0.2568 0.7518 0.1670 0.118 Uiso 1 1 calc R
C43 C 0.1349(4) 0.9121(9) 0.4953(4) 0.069(3) Uani 1 1 d .
H43 H 0.1167 0.8908 0.5135 0.083 Uiso 1 1 calc R
C8 C 0.0836(4) 0.6059(10) 0.4893(5) 0.082(4) Uani 1 1 d .
H8 H 0.0566 0.6017 0.4827 0.098 Uiso 1 1 calc R
O11 O -0.1061(3) 0.8296(13) 0.4153(5) 0.157(6) Uani 1 1 d .
C18 C 0.2724(3) 0.7068(10) 0.4104(6) 0.098(5) Uani 1 1 d .
H18A H 0.2776 0.7519 0.4400 0.146 Uiso 1 1 calc R
H18B H 0.2865 0.7274 0.3848 0.146 Uiso 1 1 calc R
H18C H 0.2806 0.6416 0.4230 0.146 Uiso 1 1 calc R
C25 C 0.1298(5) 0.4372(11) 0.1884(5) 0.091(5) Uani 1 1 d .
H25 H 0.1050 0.4245 0.1672 0.109 Uiso 1 1 calc R
C6 C 0.1438(6) 0.6186(12) 0.5487(5) 0.101(5) Uani 1 1 d .
H6 H 0.1587 0.6220 0.5838 0.121 Uiso 1 1 calc R
N9 N 0.0496(3) 0.2442(7) 0.4300(4) 0.065(2) Uani 1 1 d .
C49 C 0.0761(4) 0.3184(10) 0.4193(5) 0.080(4) Uani 1 1 d .
H49A H 0.0628 0.3816 0.4137 0.096 Uiso 1 1 calc R
H49B H 0.0835 0.3014 0.3867 0.096 Uiso 1 1 calc R
C23 C 0.1935(7) 0.3906(10) 0.2216(6) 0.109(7) Uani 1 1 d .
H23 H 0.2134 0.3449 0.2237 0.131 Uiso 1 1 calc R
C24 C 0.1598(7) 0.3697(10) 0.1911(6) 0.106(7) Uani 1 1 d .
H24 H 0.1557 0.3114 0.1714 0.128 Uiso 1 1 calc R
C7 C 0.1063(6) 0.6142(11) 0.5402(6) 0.095(5) Uani 1 1 d .
H7 H 0.0946 0.6168 0.5688 0.114 Uiso 1 1 calc R
C51 C 0.0149(4) 0.2496(11) 0.3823(6) 0.096(5) Uani 1 1 d .
H51A H 0.0056 0.3173 0.3790 0.115 Uiso 1 1 calc R
H51B H 0.0239 0.2347 0.3505 0.115 Uiso 1 1 calc R
C50 C 0.1125(5) 0.3283(12) 0.4645(7) 0.105(5) Uani 1 1 d .
H50A H 0.1058 0.3560 0.4953 0.158 Uiso 1 1 calc R
H50B H 0.1308 0.3708 0.4535 0.158 Uiso 1 1 calc R
H50C H 0.1240 0.2643 0.4732 0.158 Uiso 1 1 calc R
C47 C 0.0660(5) 0.1452(10) 0.4382(6) 0.096(5) Uani 1 1 d .
H47A H 0.0460 0.1002 0.4434 0.115 Uiso 1 1 calc R
H47B H 0.0867 0.1450 0.4707 0.115 Uiso 1 1 calc R
C46 C 0.0365(5) 0.2697(11) 0.4792(6) 0.095(4) Uani 1 1 d .
H46A H 0.0181 0.2200 0.4845 0.113 Uiso 1 1 calc R
H46B H 0.0588 0.2667 0.5096 0.113 Uiso 1 1 calc R
C48 C 0.0823(6) 0.1066(11) 0.3927(7) 0.126(7) Uani 1 1 d .
H48A H 0.0659 0.1276 0.3592 0.188 Uiso 1 1 calc R
H48B H 0.0832 0.0357 0.3939 0.188 Uiso 1 1 calc R
H48C H 0.1081 0.1321 0.3963 0.188 Uiso 1 1 calc R
C45 C 0.0182(5) 0.3675(12) 0.4783(8) 0.121(6) Uani 1 1 d .
H45A H 0.0371 0.4179 0.4773 0.181 Uiso 1 1 calc R
H45B H 0.0087 0.3756 0.5099 0.181 Uiso 1 1 calc R
H45C H -0.0030 0.3729 0.4472 0.181 Uiso 1 1 calc R
C52 C -0.0188(5) 0.1840(13) 0.3826(8) 0.127(7) Uani 1 1 d .
H52A H -0.0109 0.1163 0.3821 0.190 Uiso 1 1 calc R
H52B H -0.0395 0.1974 0.3516 0.190 Uiso 1 1 calc R
H52C H -0.0278 0.1962 0.4143 0.190 Uiso 1 1 calc R
C54 C 0.2033(6) 0.5994(16) 0.0868(7) 0.120(7) Uani 1 1 d .
C53 C 0.1683(6) 0.6151(14) 0.1018(8) 0.137(7) Uani 1 1 d .
H53A H 0.1634 0.6848 0.1028 0.205 Uiso 1 1 calc R
H53B H 0.1702 0.5873 0.1365 0.205 Uiso 1 1 calc R
H53C H 0.1474 0.5841 0.0763 0.205 Uiso 1 1 calc R
N10 N 0.2301(6) 0.588(2) 0.0730(8) 0.195(11) Uani 1 1 d .
C56 C 0.1324(12) 1.1106(18) 0.1314(13) 0.31(4) Uani 1 1 d D
C55 C 0.0982(9) 1.056(4) 0.1155(16) 0.39(4) Uani 1 1 d D
H55A H 0.0988 1.0184 0.0842 0.580 Uiso 1 1 calc R
H55B H 0.0763 1.1001 0.1076 0.580 Uiso 1 1 calc R
H55C H 0.0959 1.0121 0.1438 0.580 Uiso 1 1 calc R
N11 N 0.1625(13) 1.138(2) 0.1409(15) 0.37(3) Uani 1 1 d D
O3 O 0.0000 0.7983(6) 0.2500 0.050(2) Uani 1 2 d S
O4 O -0.0054(2) 0.9335(5) 0.2899(2) 0.0521(16) Uani 1 1 d .
N5 N 0.0000 0.8899(9) 0.2500 0.051(3) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C3 Re1 C1 80.1(3) . .
C3 Re1 C2 80.4(3) . .
C1 Re1 C2 80.6(3) . .
C3 Re1 P2 94.6(3) . .
C1 Re1 P2 174.6(2) . .
C2 Re1 P2 99.8(2) . .
C3 Re1 P3 99.4(2) . .
C1 Re1 P3 93.7(3) . .
C2 Re1 P3 174.3(2) . .
P2 Re1 P3 85.95(9) . .
C3 Re1 P1 173.7(2) . .
C1 Re1 P1 100.6(2) . .
C2 Re1 P1 93.5(2) . .
P2 Re1 P1 84.84(9) . .
P3 Re1 P1 86.83(9) . .
N3 Dy1 N1 139.1(3) 2 .
N3 Dy1 O5 126.7(3) 2 .
N1 Dy1 O5 75.5(3) . .
N3 Dy1 O6 143.2(3) 2 .
N1 Dy1 O6 77.5(3) . .
O5 Dy1 O6 52.4(2) . .
N3 Dy1 O7 72.3(3) 2 .
N1 Dy1 O7 142.9(3) . .
O5 Dy1 O7 67.9(3) . .
O6 Dy1 O7 75.9(3) . .
N3 Dy1 O4 77.4(3) 2 .
N1 Dy1 O4 81.5(2) . .
O5 Dy1 O4 69.2(2) . .
O6 Dy1 O4 121.1(2) . .
O7 Dy1 O4 90.7(3) . .
N3 Dy1 O8 72.2(3) 2 .
N1 Dy1 O8 139.7(3) . .
O5 Dy1 O8 107.6(3) . .
O6 Dy1 O8 74.3(3) . .
O7 Dy1 O8 53.1(4) . .
O4 Dy1 O8 138.1(3) . .
N3 Dy1 O2 113.4(3) 2 .
N1 Dy1 O2 73.2(3) . .
O5 Dy1 O2 115.9(3) . .
O6 Dy1 O2 66.9(2) . .
O7 Dy1 O2 117.9(4) . .
O4 Dy1 O2 151.2(3) . .
O8 Dy1 O2 69.5(3) . .
N3 Dy1 O1 79.2(2) 2 .
N1 Dy1 O1 76.8(2) . .
O5 Dy1 O1 151.7(2) . .
O6 Dy1 O1 115.5(2) . .
O7 Dy1 O1 138.5(3) . .
O4 Dy1 O1 112.04(19) . .
O8 Dy1 O1 90.0(3) . .
O2 Dy1 O1 49.2(2) . .
N3 Dy1 N6 71.0(3) 2 .
N1 Dy1 N6 149.8(3) . .
O5 Dy1 N6 87.2(4) . .
O6 Dy1 N6 72.3(3) . .
O7 Dy1 N6 26.9(3) . .
O4 Dy1 N6 115.7(4) . .
O8 Dy1 N6 26.3(3) . .
O2 Dy1 N6 93.1(4) . .
O1 Dy1 N6 114.8(4) . .
N3 Dy1 O3 68.69(19) 2 .
N1 Dy1 O3 71.04(18) . .
O5 Dy1 O3 111.7(2) . .
O6 Dy1 O3 147.89(18) . .
O7 Dy1 O3 127.9(3) . .
O4 Dy1 O3 48.4(2) . .
O8 Dy1 O3 135.9(2) . .
O2 Dy1 O3 108.7(2) . .
O1 Dy1 O3 63.6(2) . .
N6 Dy1 O3 139.1(2) . .
N3 Dy1 N4 141.5(3) 2 .
N1 Dy1 N4 74.6(3) . .
O5 Dy1 N4 26.3(2) . .
O6 Dy1 N4 26.1(2) . .
O7 Dy1 N4 70.1(3) . .
O4 Dy1 N4 95.2(2) . .
O8 Dy1 N4 91.2(3) . .
O2 Dy1 N4 91.3(3) . .
O1 Dy1 N4 136.6(2) . .
N6 Dy1 N4 79.0(3) . .
O3 Dy1 N4 132.5(2) . .
N2 Dy2 N2 138.4(4) 2 .
N2 Dy2 O12 74.5(2) 2 2
N2 Dy2 O12 146.1(2) . 2
N2 Dy2 O12 146.1(2) 2 .
N2 Dy2 O12 74.5(2) . .
O12 Dy2 O12 75.2(3) 2 .
N2 Dy2 O13 130.3(2) 2 .
N2 Dy2 O13 74.9(2) . .
O12 Dy2 O13 75.0(2) 2 .
O12 Dy2 O13 53.0(2) . .
N2 Dy2 O13 74.9(2) 2 2
N2 Dy2 O13 130.3(2) . 2
O12 Dy2 O13 53.0(2) 2 2
O12 Dy2 O13 75.0(2) . 2
O13 Dy2 O13 114.2(3) . 2
N2 Dy2 O9 70.6(3) 2 2
N2 Dy2 O9 105.2(3) . 2
O12 Dy2 O9 74.6(2) 2 2
O12 Dy2 O9 114.8(2) . 2
O13 Dy2 O9 63.9(2) . 2
O13 Dy2 O9 123.0(2) 2 2
N2 Dy2 O9 105.2(3) 2 .
N2 Dy2 O9 70.6(3) . .
O12 Dy2 O9 114.8(2) 2 .
O12 Dy2 O9 74.6(2) . .
O13 Dy2 O9 123.0(2) . .
O13 Dy2 O9 63.9(2) 2 .
O9 Dy2 O9 168.8(3) 2 .
N2 Dy2 O1 76.1(2) 2 2
N2 Dy2 O1 71.6(2) . 2
O12 Dy2 O1 122.8(2) 2 2
O12 Dy2 O1 134.4(2) . 2
O13 Dy2 O1 88.9(2) . 2
O13 Dy2 O1 150.4(2) 2 2
O9 Dy2 O1 49.54(19) 2 2
O9 Dy2 O1 119.77(19) . 2
N2 Dy2 O1 71.6(2) 2 .
N2 Dy2 O1 76.1(2) . .
O12 Dy2 O1 134.4(2) 2 .
O12 Dy2 O1 122.8(2) . .
O13 Dy2 O1 150.4(2) . .
O13 Dy2 O1 88.9(2) 2 .
O9 Dy2 O1 119.77(19) 2 .
O9 Dy2 O1 49.54(19) . .
O1 Dy2 O1 76.9(3) 2 .
N2 Dy2 N8 72.1(2) 2 2
N2 Dy2 N8 146.2(2) . 2
O12 Dy2 N8 26.7(2) 2 2
O12 Dy2 N8 74.1(2) . 2
O13 Dy2 N8 95.5(3) . 2
O13 Dy2 N8 26.3(2) 2 2
O9 Dy2 N8 98.9(3) 2 2
O9 Dy2 N8 89.4(3) . 2
O1 Dy2 N8 141.5(2) 2 2
O1 Dy2 N8 111.8(2) . 2
N2 Dy2 N8 146.2(2) 2 .
N2 Dy2 N8 72.1(2) . .
O12 Dy2 N8 74.1(2) 2 .
O12 Dy2 N8 26.7(2) . .
O13 Dy2 N8 26.3(2) . .
O13 Dy2 N8 95.5(3) 2 .
O9 Dy2 N8 89.4(3) 2 .
O9 Dy2 N8 98.9(3) . .
O1 Dy2 N8 111.8(2) 2 .
O1 Dy2 N8 141.5(2) . .
N8 Dy2 N8 85.1(3) 2 .
C4 P1 C16 104.6(5) . .
C4 P1 C10 99.8(5) . .
C16 P1 C10 102.6(5) . .
C4 P1 Re1 117.5(3) . .
C16 P1 Re1 109.8(4) . .
C10 P1 Re1 120.4(3) . .
C21 P2 C19 103.9(5) . .
C21 P2 C27 99.7(5) . .
C19 P2 C27 102.0(5) . .
C21 P2 Re1 117.4(3) . .
C19 P2 Re1 111.7(4) . .
C27 P2 Re1 119.9(3) . .
C33 P3 C20 104.8(5) . .
C33 P3 C39 98.3(4) . .
C20 P3 C39 103.3(5) . .
C33 P3 Re1 116.4(3) . .
C20 P3 Re1 111.6(3) . .
C39 P3 Re1 120.4(4) . .
N2 C2 Re1 169.7(7) . .
N1 C1 Re1 170.2(7) . .
N3 C3 Re1 169.5(8) . .
C1 N1 Dy1 160.4(7) . .
O10 N4 O6 121.2(10) . .
O10 N4 O5 122.7(9) . .
O6 N4 O5 116.1(8) . .
O10 N4 Dy1 178.2(8) . .
O6 N4 Dy1 58.1(4) . .
O5 N4 Dy1 58.0(5) . .
N8 O12 Dy2 95.2(5) . .
C11 C10 C15 117.7(9) . .
C11 C10 P1 121.0(7) . .
C15 C10 P1 121.2(8) . .
N8 O13 Dy2 95.4(6) . .
N4 O6 Dy1 95.8(5) . .
O14 N8 O13 122.2(10) . .
O14 N8 O12 121.5(9) . .
O13 N8 O12 116.2(8) . .
O14 N8 Dy2 176.7(7) . .
O13 N8 Dy2 58.2(5) . .
O12 N8 Dy2 58.1(4) . .
C17 C20 P3 115.1(7) . .
C17 C16 P1 117.1(7) . .
C10 C11 C12 120.8(9) . .
C16 C17 C18 107.3(11) . .
C16 C17 C19 112.9(9) . .
C18 C17 C19 107.0(11) . .
C16 C17 C20 112.5(10) . .
C18 C17 C20 106.4(9) . .
C19 C17 C20 110.3(10) . .
C17 C19 P2 116.3(7) . .
C14 C13 C12 119.3(10) . .
C13 C14 C15 121.3(11) . .
N4 O5 Dy1 95.7(5) . .
C10 C15 C14 120.4(10) . .
C13 C12 C11 120.6(10) . .
N7 O9 Dy2 96.2(5) . .
C3 N3 Dy1 159.2(7) . 2
C2 N2 Dy2 162.5(7) . .
N7 O2 Dy1 97.6(6) . .
C26 C21 C22 117.7(11) . .
C26 C21 P2 118.0(8) . .
C22 C21 P2 124.3(9) . .
O2 N7 O9 123.2(8) . .
O2 N7 O1 118.4(8) . .
O9 N7 O1 118.4(8) . .
C34 C33 C38 119.3(10) . .
C34 C33 P3 124.8(8) . .
C38 C33 P3 115.9(7) . .
C37 C38 C33 120.5(10) . .
N7 O1 Dy2 95.9(5) . .
N7 O1 Dy1 94.4(5) . .
Dy2 O1 Dy1 167.8(3) . .
C27 C32 C31 120.8(10) . .
C28 C27 C32 118.8(10) . .
C28 C27 P2 119.3(9) . .
C32 C27 P2 121.8(8) . .
C39 C44 C43 121.7(10) . .
C21 C26 C25 122.5(13) . .
C33 C34 C35 119.1(11) . .
C44 C39 C40 118.8(10) . .
C44 C39 P3 121.9(7) . .
C40 C39 P3 119.1(9) . .
C30 C31 C32 120.2(10) . .
C9 C4 C5 117.6(12) . .
C9 C4 P1 118.6(8) . .
C5 C4 P1 123.8(11) . .
N6 O8 Dy1 88.1(8) . .
N6 O7 Dy1 91.3(9) . .
C41 C40 C39 120.4(13) . .
O8 N6 O7 127.3(14) . .
O8 N6 O11 115.4(15) . .
O7 N6 O11 117.1(15) . .
O8 N6 Dy1 65.6(8) . .
O7 N6 Dy1 61.8(7) . .
O11 N6 Dy1 178.8(12) . .
C4 C9 C8 122.6(12) . .
C27 C28 C29 120.7(12) . .
C29 C30 C31 120.3(11) . .
C40 C41 C42 120.9(12) . .
C36 C37 C38 120.0(10) . .
C23 C22 C21 118.5(14) . .
C36 C35 C34 120.7(10) . .
C4 C5 C6 119.5(15) . .
C35 C36 C37 120.4(10) . .
C41 C42 C43 120.2(12) . .
C30 C29 C28 119.2(12) . .
C44 C43 C42 117.9(12) . .
C9 C8 C7 117.7(14) . .
C26 C25 C24 119.0(14) . .
C7 C6 C5 122.0(14) . .
C49 N9 C47 114.3(11) . .
C49 N9 C46 110.6(11) . .
C47 N9 C46 106.5(10) . .
C49 N9 C51 104.3(9) . .
C47 N9 C51 112.3(11) . .
C46 N9 C51 108.7(11) . .
N9 C49 C50 112.5(11) . .
C24 C23 C22 124.3(15) . .
C23 C24 C25 117.9(13) . .
C6 C7 C8 120.4(14) . .
C52 C51 N9 117.4(11) . .
N9 C47 C48 114.7(11) . .
C45 C46 N9 114.9(12) . .
N10 C54 C53 177(2) . .
N11 C56 C55 167(5) . .
N5 O3 Dy1 89.95(17) . .
N5 O3 Dy1 89.95(17) . 2
Dy1 O3 Dy1 179.9(3) . 2
N5 O4 Dy1 103.2(6) . .
O3 N5 O4 118.4(6) . .
O3 N5 O4 118.4(6) . 2
O4 N5 O4 123.2(12) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 C3 2.065(10) .
Re1 C1 2.065(10) .
Re1 C2 2.079(9) .
Re1 P2 2.419(3) .
Re1 P3 2.427(2) .
Re1 P1 2.430(2) .
Dy1 N3 2.381(8) 2
Dy1 N1 2.387(8) .
Dy1 O5 2.440(8) .
Dy1 O6 2.442(7) .
Dy1 O7 2.447(10) .
Dy1 O4 2.499(6) .
Dy1 O8 2.528(9) .
Dy1 O2 2.573(8) .
Dy1 O1 2.626(6) .
Dy1 N6 2.775(14) .
Dy1 O3 2.7753(7) .
Dy1 N4 2.862(8) .
Dy2 N2 2.375(7) 2
Dy2 N2 2.375(7) .
Dy2 O12 2.433(6) 2
Dy2 O12 2.433(6) .
Dy2 O13 2.438(7) .
Dy2 O13 2.438(7) 2
Dy2 O9 2.591(7) 2
Dy2 O9 2.591(7) .
Dy2 O1 2.591(6) 2
Dy2 O1 2.591(6) .
Dy2 N8 2.855(8) 2
Dy2 N8 2.855(8) .
P1 C4 1.823(12) .
P1 C16 1.854(10) .
P1 C10 1.862(9) .
P2 C21 1.823(10) .
P2 C19 1.855(10) .
P2 C27 1.862(11) .
P3 C33 1.829(10) .
P3 C20 1.851(11) .
P3 C39 1.853(11) .
C2 N2 1.164(11) .
C1 N1 1.159(12) .
C3 N3 1.176(12) .
N4 O10 1.225(10) .
N4 O6 1.267(10) .
N4 O5 1.272(11) .
O12 N8 1.288(11) .
C10 C11 1.390(12) .
C10 C15 1.396(13) .
O13 N8 1.271(11) .
N8 O14 1.224(10) .
C20 C17 1.571(15) .
C16 C17 1.515(18) .
C11 C12 1.391(13) .
C17 C18 1.539(14) .
C17 C19 1.550(16) .
C13 C14 1.349(17) .
C13 C12 1.381(15) .
C14 C15 1.396(15) .
O9 N7 1.258(10) .
N3 Dy1 2.381(8) 2
O2 N7 1.249(10) .
C21 C26 1.369(15) .
C21 C22 1.409(15) .
N7 O1 1.269(10) .
C33 C34 1.388(14) .
C33 C38 1.412(13) .
C38 C37 1.386(14) .
C32 C27 1.381(14) .
C32 C31 1.395(15) .
C27 C28 1.377(15) .
C44 C39 1.383(15) .
C44 C43 1.398(15) .
C26 C25 1.392(16) .
C34 C35 1.417(16) .
C39 C40 1.407(14) .
C31 C30 1.377(16) .
C4 C9 1.373(16) .
C4 C5 1.391(14) .
O8 N6 1.229(15) .
O7 N6 1.254(15) .
C40 C41 1.369(18) .
N6 O11 1.355(16) .
C9 C8 1.395(17) .
C28 C29 1.424(18) .
C30 C29 1.370(18) .
C41 C42 1.38(2) .
C37 C36 1.382(15) .
C22 C23 1.39(2) .
C35 C36 1.370(16) .
C5 C6 1.39(2) .
C42 C43 1.419(17) .
C8 C7 1.40(2) .
C25 C24 1.42(2) .
C6 C7 1.32(2) .
N9 C49 1.477(15) .
N9 C47 1.486(15) .
N9 C46 1.525(16) .
N9 C51 1.547(16) .
C49 C50 1.552(19) .
C23 C24 1.32(2) .
C51 C52 1.52(2) .
C47 C48 1.55(2) .
C46 C45 1.50(2) .
C54 N10 1.13(2) .
C54 C53 1.43(3) .
C56 N11 1.125(17) .
C56 C55 1.422(17) .
O3 N5 1.266(14) .
O3 Dy1 2.7754(7) 2
O4 N5 1.268(8) .
N5 O4 1.268(8) 2
