# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_gr255
_database_code_depnum_ccdc_archive 'CCDC 1451703'
_audit_update_record             
;
2016-02-03 deposited with the CCDC.
2016-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014


_chemical_name_systematic        
Poly[bis(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')(mu-2-diaminobenzene-1,4-dicarboxylato-k2O,O':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H46 Dy2 N10 O16'
_chemical_formula_sum            'C36 H46 Dy2 N10 O16'
_chemical_formula_weight         1199.83

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'
Dy Dy -0.1892 4.4098 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5851(4)
_cell_length_b                   10.7883(5)
_cell_length_c                   12.8727(8)
_cell_angle_alpha                73.878(2)
_cell_angle_beta                 67.677(2)
_cell_angle_gamma                81.160(2)
_cell_volume                     1304.43(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    18561
_cell_measurement_theta_min      2.199
_cell_measurement_theta_max      28.740

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.500 0.500 285.4 5.3
2 0.427 0.135 0.050 8.2 0.0
3 0.573 0.865 0.950 8.2 -0.2
_platon_squeeze_details          
;
;

_exptl_crystal_description       'square plate'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_F_000             592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    2.910
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.589
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.2012
_diffrn_reflns_number            34088
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.199
_diffrn_reflns_theta_max         28.740
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6772
_reflns_number_gt                6164
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_structure_solution    'Sir92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
;
Despite having employed 2-aminobenzene-1,4-dicarboxylate anion, the
general symmetry fitted by the complex generates a symmetry related
amino group that leads to the 2,5-aminobenzene-1,4-dicarboxylate ligands.
Although the occupation of this nitrogen atom was tried to be shifted to 0.5,
all attempts gave non-positive definites of the nitrogen atoms.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0222P)²+1.4744P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6772
_refine_ls_number_parameters     293
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0234
_refine_ls_wR_factor_ref         0.0559
_refine_ls_wR_factor_gt          0.0549
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 1.06145(2) 0.03411(2) 0.31558(2) 0.00746(4) Uani 1 1 d . . . . .
C1A C 0.9673(3) 0.2421(3) 0.4913(2) 0.0141(5) Uani 1 1 d . . . . .
C1B C 1.0370(3) 0.2563(3) 0.1522(2) 0.0155(5) Uani 1 1 d . . . . .
C1C C 0.7501(3) -0.0202(3) 0.5452(2) 0.0153(5) Uani 1 1 d . . . . .
C2A C 0.9847(3) 0.3762(3) 0.4929(2) 0.0158(5) Uani 1 1 d . . . . .
C2B C 1.0190(3) 0.3825(3) 0.0742(2) 0.0152(5) Uani 1 1 d . . . . .
C2C C 0.6198(3) -0.0101(3) 0.5239(2) 0.0152(5) Uani 1 1 d . . . . .
C2D C 1.3109(3) -0.1461(3) 0.1861(3) 0.0262(6) Uani 1 1 d . . . . .
H2D H 1.3541 -0.1554 0.2389 0.031 Uiso 1 1 calc R U . . .
C2E C 0.8825(3) -0.0756(3) 0.1972(3) 0.0246(6) Uani 1 1 d . . . . .
H2E H 0.8558 0.0091 0.1686 0.029 Uiso 1 1 calc R U . . .
C3A C 1.0689(3) 0.4620(3) 0.3960(2) 0.0186(6) Uani 1 1 d . . . . .
C3B C 1.1282(3) 0.4646(3) 0.0119(2) 0.0165(5) Uani 1 1 d . . . . .
C3C C 0.4959(3) -0.0451(3) 0.6146(2) 0.0171(5) Uani 1 1 d . . . . .
C4A C 0.9168(3) 0.4162(3) 0.5954(2) 0.0193(6) Uani 1 1 d . . . . .
H4A H 0.8605 0.3597 0.6594 0.023 Uiso 1 1 calc R U . . .
C4B C 0.8918(3) 0.4186(3) 0.0617(2) 0.0167(5) Uani 1 1 d . . . . .
H4B H 0.8199 0.3641 0.1030 0.020 Uiso 1 1 calc R U . . .
C4C C 0.6220(3) 0.0348(3) 0.4106(2) 0.0177(5) Uani 1 1 d . . . . .
H4C H 0.7042 0.0584 0.3508 0.021 Uiso 1 1 calc R U . . .
C4D C 1.2651(5) -0.2352(4) 0.0512(4) 0.0489(10) Uani 1 1 d . . . . .
H4D1 H 1.1947 -0.1671 0.0570 0.073 Uiso 1 1 calc R U . . .
H4D2 H 1.2250 -0.3165 0.0713 0.073 Uiso 1 1 calc R U . . .
H4D3 H 1.3298 -0.2205 -0.0266 0.073 Uiso 1 1 calc R U . . .
C4E C 0.8686(4) -0.3041(3) 0.2185(3) 0.0324(7) Uani 1 1 d . . . . .
H4E1 H 0.9286 -0.3387 0.1545 0.049 Uiso 1 1 calc R U . . .
H4E2 H 0.7865 -0.3506 0.2559 0.049 Uiso 1 1 calc R U . . .
H4E3 H 0.9134 -0.3127 0.2727 0.049 Uiso 1 1 calc R U . . .
C5D C 1.4270(4) -0.3506(4) 0.1501(4) 0.0538(12) Uani 1 1 d . . . . .
H5D1 H 1.4605 -0.3450 0.2082 0.081 Uiso 1 1 calc R U . . .
H5D2 H 1.5026 -0.3527 0.0794 0.081 Uiso 1 1 calc R U . . .
H5D3 H 1.3783 -0.4280 0.1757 0.081 Uiso 1 1 calc R U . . .
C5E C 0.7377(4) -0.1385(4) 0.1148(3) 0.0361(8) Uani 1 1 d . . . . .
H5E1 H 0.6555 -0.1832 0.1618 0.054 Uiso 1 1 calc R U . . .
H5E2 H 0.7783 -0.1655 0.0435 0.054 Uiso 1 1 calc R U . . .
H5E3 H 0.7161 -0.0471 0.0986 0.054 Uiso 1 1 calc R U . . .
N1A N 1.1386(3) 0.4309(2) 0.29271(18) 0.0190(5) Uani 1 1 d . . . . .
H1A1 H 1.1894 0.4862 0.2356 0.023 Uiso 1 1 calc R U . . .
H1A2 H 1.1319 0.3560 0.2845 0.023 Uiso 1 1 calc R U . . .
N1B N 1.2540(2) 0.4351(2) 0.0189(2) 0.0154(5) Uani 1 1 d . . . . .
H1B1 H 1.3182 0.4877 -0.0213 0.018 Uiso 1 1 calc R U . . .
H1B2 H 1.2699 0.3637 0.0636 0.018 Uiso 1 1 calc R U . . .
N1C N 0.4859(2) -0.0900(2) 0.72661(18) 0.0149(4) Uani 1 1 d . U . . .
H1C1 H 0.4080 -0.1111 0.7795 0.018 Uiso 1 1 calc R U . . .
H1C2 H 0.5574 -0.0974 0.7448 0.018 Uiso 1 1 calc R U . . .
N3D N 1.3346(3) -0.2376(3) 0.1302(3) 0.0341(7) Uani 1 1 d . . . . .
N3E N 0.8347(3) -0.1691(3) 0.1769(2) 0.0263(6) Uani 1 1 d . . . . .
O1A O 1.0204(2) 0.21249(18) 0.39423(16) 0.0178(4) Uani 1 1 d . . . . .
O1B O 1.1534(2) 0.22296(19) 0.16249(17) 0.0184(4) Uani 1 1 d . . . . .
O1C O 0.86011(19) 0.00018(19) 0.46072(17) 0.0188(4) Uani 1 1 d . . . . .
O1D O 1.2344(2) -0.0479(2) 0.17269(17) 0.0222(4) Uani 1 1 d . . . . .
O1E O 0.9608(2) -0.0936(2) 0.25194(19) 0.0268(5) Uani 1 1 d . . . . .
O2A O 1.0993(2) -0.16798(18) 0.41549(16) 0.0167(4) Uani 1 1 d . . . . .
O2B O 0.9378(2) 0.18387(19) 0.20915(17) 0.0210(4) Uani 1 1 d . . . . .
O2C O 1.25670(19) 0.04913(19) 0.34986(16) 0.0175(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1C 2.2365(19) . ?
Dy1 O2A 2.2658(19) . ?
Dy1 O2C 2.3081(18) . ?
Dy1 O1D 2.316(2) . ?
Dy1 O1A 2.3255(19) . ?
Dy1 O1E 2.334(2) . ?
Dy1 O2B 2.3840(19) . ?
Dy1 O1B 2.4299(19) . ?
Dy1 C1B 2.768(3) . ?
C1A O2A 1.255(3) 2_756 ?
C1A O1A 1.270(3) . ?
C1A C2A 1.493(4) . ?
C1B O2B 1.265(3) . ?
C1B O1B 1.275(3) . ?
C1B C2B 1.484(4) . ?
C1C O1C 1.253(3) . ?
C1C O2C 1.275(3) 2_756 ?
C1C C2C 1.488(4) . ?
C2A C4A 1.394(4) . ?
C2A C3A 1.405(4) . ?
C2B C4B 1.399(4) . ?
C2B C3B 1.408(4) . ?
C2C C4C 1.396(4) . ?
C2C C3C 1.404(4) . ?
C2D O1D 1.244(4) . ?
C2D N3D 1.318(4) . ?
C2E O1E 1.240(4) . ?
C2E N3E 1.320(4) . ?
C3A N1A 1.360(3) . ?
C3A C4A 1.385(4) 2_766 ?
C3B N1B 1.352(3) . ?
C3B C4B 1.391(4) 2_765 ?
C3C N1C 1.355(3) . ?
C3C C4C 1.386(4) 2_656 ?
C4A C3A 1.385(4) 2_766 ?
C4B C3B 1.391(4) 2_765 ?
C4C C3C 1.386(4) 2_656 ?
C4D N3D 1.457(5) . ?
C4E N3E 1.446(4) . ?
C5D N3D 1.470(5) . ?
C5E N3E 1.476(4) . ?
O2A C1A 1.255(3) 2_756 ?
O2C C1C 1.275(3) 2_756 ?

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
_geom_angle_publ_flag
O1C Dy1 O2A 78.39(7) . . ?
O1C Dy1 O2C 121.02(7) . . ?
O2A Dy1 O2C 76.42(7) . . ?
O1C Dy1 O1D 146.32(7) . . ?
O2A Dy1 O1D 78.56(7) . . ?
O2C Dy1 O1D 76.32(7) . . ?
O1C Dy1 O1A 75.81(7) . . ?
O2A Dy1 O1A 121.94(7) . . ?
O2C Dy1 O1A 74.17(7) . . ?
O1D Dy1 O1A 137.71(7) . . ?
O1C Dy1 O1E 78.60(8) . . ?
O2A Dy1 O1E 77.39(7) . . ?
O2C Dy1 O1E 142.59(7) . . ?
O1D Dy1 O1E 72.64(8) . . ?
O1A Dy1 O1E 143.11(7) . . ?
O1C Dy1 O2B 86.34(7) . . ?
O2A Dy1 O2B 150.74(7) . . ?
O2C Dy1 O2B 132.62(7) . . ?
O1D Dy1 O2B 102.55(7) . . ?
O1A Dy1 O2B 77.06(7) . . ?
O1E Dy1 O2B 75.19(7) . . ?
O1C Dy1 O1B 132.63(7) . . ?
O2A Dy1 O1B 148.43(7) . . ?
O2C Dy1 O1B 80.55(7) . . ?
O1D Dy1 O1B 75.20(7) . . ?
O1A Dy1 O1B 70.64(7) . . ?
O1E Dy1 O1B 110.48(7) . . ?
O2B Dy1 O1B 54.50(7) . . ?
O1C Dy1 C1B 109.34(8) . . ?
O2A Dy1 C1B 167.32(7) . . ?
O2C Dy1 C1B 106.50(7) . . ?
O1D Dy1 C1B 90.05(7) . . ?
O1A Dy1 C1B 70.41(7) . . ?
O1E Dy1 C1B 94.01(8) . . ?
O2B Dy1 C1B 27.15(7) . . ?
O1B Dy1 C1B 27.42(7) . . ?
O2A C1A O1A 124.9(2) 2_756 . ?
O2A C1A C2A 118.2(2) 2_756 . ?
O1A C1A C2A 116.8(2) . . ?
O2B C1B O1B 120.4(2) . . ?
O2B C1B C2B 120.5(2) . . ?
O1B C1B C2B 119.1(2) . . ?
O2B C1B Dy1 59.27(14) . . ?
O1B C1B Dy1 61.36(14) . . ?
C2B C1B Dy1 174.18(18) . . ?
O1C C1C O2C 123.3(2) . 2_756 ?
O1C C1C C2C 119.2(2) . . ?
O2C C1C C2C 117.5(2) 2_756 . ?
C4A C2A C3A 119.2(3) . . ?
C4A C2A C1A 118.4(2) . . ?
C3A C2A C1A 122.4(2) . . ?
C4B C2B C3B 119.9(2) . . ?
C4B C2B C1B 119.2(2) . . ?
C3B C2B C1B 120.9(2) . . ?
C4C C2C C3C 119.6(2) . . ?
C4C C2C C1C 118.8(2) . . ?
C3C C2C C1C 121.6(2) . . ?
O1D C2D N3D 124.2(3) . . ?
O1E C2E N3E 124.2(3) . . ?
N1A C3A C4A 117.7(3) . 2_766 ?
N1A C3A C2A 123.0(3) . . ?
C4A C3A C2A 119.3(3) 2_766 . ?
N1B C3B C4B 117.6(3) . 2_765 ?
N1B C3B C2B 123.0(2) . . ?
C4B C3B C2B 119.4(2) 2_765 . ?
N1C C3C C4C 117.9(2) . 2_656 ?
N1C C3C C2C 123.0(2) . . ?
C4C C3C C2C 119.0(2) 2_656 . ?
C3A C4A C2A 121.5(3) 2_766 . ?
C3B C4B C2B 120.7(3) 2_765 . ?
C3C C4C C2C 121.3(3) 2_656 . ?
C2D N3D C4D 121.8(3) . . ?
C2D N3D C5D 121.1(3) . . ?
C4D N3D C5D 117.0(3) . . ?
C2E N3E C4E 122.4(3) . . ?
C2E N3E C5E 120.4(3) . . ?
C4E N3E C5E 117.2(3) . . ?
C1A O1A Dy1 140.31(18) . . ?
C1B O1B Dy1 91.21(16) . . ?
C1C O1C Dy1 177.39(18) . . ?
C2D O1D Dy1 127.3(2) . . ?
C2E O1E Dy1 136.7(2) . . ?
C1A O2A Dy1 135.21(17) 2_756 . ?
C1B O2B Dy1 93.58(16) . . ?
C1C O2C Dy1 117.66(17) 2_756 . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1C H1C2 O2C 0.86 1.94 2.584(3) 130.5 2_756

_refine_diff_density_max         1.001
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.115

_shelxl_version_number           2014-3

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_arr3030
_database_code_depnum_ccdc_archive 'CCDC 1451704'
_audit_update_record             
;
2016-02-03 deposited with the CCDC.
2016-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014


_chemical_name_systematic        
Poly[(mu-9,10-anthracenedicarboxylato-k2O,O':k2O'',O''')(mu4-9,10-anthracenedicarboxylato-kO:kO':kO'':kO''')(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')tetra(dimethylformamide)didysprosium(III)]
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H48 Dy2 N5 O16'
_chemical_formula_sum            'C52 H48 Dy2 N5 O16'
_chemical_formula_weight         1323.95

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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7673(9)
_cell_length_b                   11.0209(10)
_cell_length_c                   13.0918(11)
_cell_angle_alpha                105.064(2)
_cell_angle_beta                 94.854(3)
_cell_angle_gamma                93.847(3)
_cell_volume                     1488.4(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    18561
_cell_measurement_theta_min      2.367
_cell_measurement_theta_max      23.342

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.000 0.500 286.1 8.5
_platon_squeeze_details          
;
;

_exptl_crystal_description       'square plate'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_F_000             655
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    2.556
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.614
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.2012
_diffrn_reflns_number            18561
_diffrn_reflns_av_R_equivalents  0.1036
_diffrn_reflns_av_unetI/netI     0.1178
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.367
_diffrn_reflns_theta_max         23.342
_diffrn_reflns_theta_full        24.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.921
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.921
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.921
_reflns_number_total             4298
_reflns_number_gt                3289
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_structure_solution    'Sir92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0536P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4298
_refine_ls_number_parameters     347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1082
_refine_ls_wR_factor_gt          0.1016
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.03020(5) 0.55128(3) 0.17541(3) 0.01885(16) Uani 1 1 d . . . . .
C1A C -0.0046(9) 0.7388(7) 0.0092(7) 0.022(2) Uani 1 1 d . . . . .
C1B C 0.0118(12) 0.7671(8) 0.3352(7) 0.032(3) Uani 1 1 d . . . . .
C1C C 0.2328(11) 0.5192(8) -0.0143(9) 0.039(3) Uani 1 1 d . . . . .
C2A C -0.0017(9) 0.8750(7) 0.0071(6) 0.020(2) Uani 1 1 d . . . . .
C2B C 0.0042(10) 0.8876(7) 0.4202(7) 0.031(2) Uani 1 1 d . . . . .
C2C C 0.3715(8) 0.5100(8) -0.0089(7) 0.027(2) Uani 1 1 d . . . . .
C2M C 0.2827(14) 0.4067(12) 0.2193(9) 0.066(4) Uani 1 1 d . . . . .
H2M H 0.2570 0.3567 0.1508 0.079 Uiso 1 1 calc R U . . .
C2N C -0.1015(11) 0.3474(11) 0.2867(8) 0.052(3) Uani 1 1 d . . . . .
H2N H -0.0884 0.2864 0.2255 0.063 Uiso 1 1 calc R U . . .
C3A C 0.1080(10) 0.9349(7) -0.0148(7) 0.031(3) Uani 1 1 d . . . . .
C3B C 0.0509(12) 1.0007(9) 0.4052(8) 0.052(3) Uani 1 1 d . . . . .
C3C C 0.4254(11) 0.4346(10) -0.0927(8) 0.054(3) Uani 1 1 d . . . . .
C4A C 0.2211(10) 0.8770(9) -0.0250(9) 0.045(3) Uani 1 1 d . . . . .
H4A H 0.2241 0.7963 -0.0159 0.054 Uiso 1 1 calc R U . . .
C4B C 0.0992(13) 1.0076(9) 0.3054(8) 0.063(4) Uani 1 1 d . . . . .
H4B H 0.0992 0.9347 0.2503 0.076 Uiso 1 1 calc R U . . .
C4C C 0.4476(10) 0.5740(10) 0.0812(9) 0.055(3) Uani 1 1 d . . . . .
H4C H 0.4116 0.6253 0.1370 0.066 Uiso 1 1 calc R U . . .
C4M C 0.4472(17) 0.4633(17) 0.3601(12) 0.146(9) Uani 1 1 d . . . . .
H4M1 H 0.3917 0.5244 0.3910 0.219 Uiso 1 1 d R U . . .
H4M2 H 0.5252 0.5063 0.3524 0.219 Uiso 1 1 d R U . . .
H4M3 H 0.4627 0.4098 0.4064 0.219 Uiso 1 1 d R U . . .
C4N C -0.1898(15) 0.3975(12) 0.4506(10) 0.086(5) Uani 1 1 d . . . . .
H4N1 H -0.1114 0.4265 0.4956 0.128 Uiso 1 1 d R U . . .
H4N2 H -0.2459 0.3593 0.4898 0.128 Uiso 1 1 d R U . . .
H4N3 H -0.2263 0.4692 0.4350 0.128 Uiso 1 1 d R U . . .
C5A C 0.3243(12) 0.9356(9) -0.0475(11) 0.067(4) Uani 1 1 d . . . . .
H5A H 0.3966 0.8939 -0.0558 0.080 Uiso 1 1 calc R U . . .
C5B C 0.1447(14) 1.1220(10) 0.2931(9) 0.077(5) Uani 1 1 d . . . . .
H5B H 0.1759 1.1254 0.2297 0.092 Uiso 1 1 calc R U . . .
C5M C 0.4638(15) 0.2923(15) 0.2028(12) 0.112(6) Uani 1 1 d . . . . .
H5M1 H 0.4255 0.2599 0.1310 0.168 Uiso 1 1 calc R U . . .
H5M2 H 0.4651 0.2253 0.2372 0.168 Uiso 1 1 calc R U . . .
H5M3 H 0.5480 0.3268 0.2023 0.168 Uiso 1 1 calc R U . . .
C5N C -0.2185(14) 0.1767(11) 0.3346(11) 0.084(5) Uani 1 1 d . . . . .
H5N1 H -0.3078 0.1714 0.3348 0.126 Uiso 1 1 calc R U . . .
H5N2 H -0.1820 0.1427 0.3894 0.126 Uiso 1 1 calc R U . . .
H5N3 H -0.1976 0.1293 0.2667 0.126 Uiso 1 1 calc R U . . .
C6A C 0.3251(12) 1.0588(10) -0.0586(10) 0.062(3) Uani 1 1 d . . . . .
H6A H 0.3978 1.0991 -0.0727 0.075 Uiso 1 1 calc R U . . .
C6B C 0.1449(14) 1.2345(10) 0.3750(9) 0.072(4) Uani 1 1 d . . . . .
H6B H 0.1784 1.3108 0.3663 0.086 Uiso 1 1 calc R U . . .
C7A C 0.2198(10) 1.1183(8) -0.0485(8) 0.042(3) Uani 1 1 d . . . . .
H7A H 0.2203 1.1988 -0.0587 0.050 Uiso 1 1 calc R U . . .
C7B C 0.0952(12) 1.2307(9) 0.4675(8) 0.053(3) Uani 1 1 d . . . . .
H7B H 0.0918 1.3057 0.5196 0.064 Uiso 1 1 calc R U . . .
C8A C -0.1073(9) 0.9380(7) 0.0227(7) 0.026(2) Uani 1 1 d . . . . .
C8B C -0.0486(12) 0.8855(8) 0.5141(8) 0.050(3) Uani 1 1 d . . . . .
N1C N 0.351(2) 0.360(3) -0.1862(17) 0.124(12) Uani 0.5 1 d . . P . .
H1C1 H 0.3854 0.3100 -0.2353 0.149 Uiso 0.5 1 calc R U P . .
H1C2 H 0.2714 0.3654 -0.1934 0.149 Uiso 0.5 1 calc R U P . .
N3M N 0.3926(10) 0.3906(11) 0.2602(8) 0.076(3) Uani 1 1 d . . . . .
N3N N -0.1693(9) 0.3102(8) 0.3544(7) 0.053(3) Uani 1 1 d . . . . .
O1A O 0.0092(8) 0.7173(5) 0.0965(5) 0.059(2) Uani 1 1 d . . . . .
O1B O -0.0886(7) 0.7072(5) 0.2879(5) 0.0383(18) Uani 1 1 d . . . . .
O1C O 0.1887(7) 0.5581(8) 0.0721(7) 0.068(2) Uani 1 1 d . . . . .
O1M O 0.2088(7) 0.4802(6) 0.2605(5) 0.0436(19) Uani 1 1 d . . . . .
O1N O -0.0546(7) 0.4541(6) 0.2970(5) 0.045(2) Uani 1 1 d . . . . .
O2A O -0.0225(6) 0.6587(5) -0.0780(5) 0.0385(18) Uani 1 1 d . . . . .
O2B O 0.1162(7) 0.7288(6) 0.3172(5) 0.0372(18) Uani 1 1 d . . . . .
O2C O -0.1724(7) 0.5075(8) 0.1016(7) 0.076(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1C 2.275(8) . ?
Dy1 O2C 2.277(7) . ?
Dy1 O2A 2.326(5) 2_565 ?
Dy1 O1A 2.338(6) . ?
Dy1 O1N 2.348(6) . ?
Dy1 O2B 2.389(6) . ?
Dy1 O1M 2.417(7) . ?
Dy1 O1B 2.461(6) . ?
Dy1 C1B 2.761(9) . ?
C1A O1A 1.226(9) . ?
C1A O2A 1.239(9) . ?
C1A C2A 1.507(10) . ?
C1B O2B 1.247(12) . ?
C1B O1B 1.252(11) . ?
C1B C2B 1.507(12) . ?
C1C O2C 1.220(12) 2_565 ?
C1C O1C 1.247(12) . ?
C1C C2C 1.500(14) . ?
C2A C8A 1.375(12) . ?
C2A C3A 1.401(12) . ?
C2B C3B 1.379(13) . ?
C2B C8B 1.403(14) . ?
C2C C4C 1.374(13) . ?
C2C C3C 1.389(13) . ?
C2M O1M 1.230(14) . ?
C2M N3M 1.300(15) . ?
C2M H2M 0.9300 . ?
C2N O1N 1.218(11) . ?
C2N N3N 1.320(13) . ?
C2N H2N 0.9300 . ?
C3A C4A 1.413(14) . ?
C3A C8A 1.432(11) 2_575 ?
C3B C8B 1.418(13) 2_576 ?
C3B C4B 1.465(15) . ?
C3C C4C 1.375(15) 2_665 ?
C3C N1C 1.43(2) . ?
C4A C5A 1.340(15) . ?
C4A H4A 0.9300 . ?
C4B C5B 1.375(14) . ?
C4B H4B 0.9300 . ?
C4C C3C 1.375(15) 2_665 ?
C4C H4C 0.9300 . ?
C4M N3M 1.400(16) . ?
C4M H4M1 0.9622 . ?
C4M H4M2 0.9624 . ?
C4M H4M3 0.9618 . ?
C4N N3N 1.416(14) . ?
C4N H4N1 0.9714 . ?
C4N H4N2 0.9678 . ?
C4N H4N3 0.9667 . ?
C5A C6A 1.403(15) . ?
C5A H5A 0.9300 . ?
C5B C6B 1.412(14) . ?
C5B H5B 0.9300 . ?
C5M N3M 1.453(15) . ?
C5M H5M1 0.9600 . ?
C5M H5M2 0.9600 . ?
C5M H5M3 0.9600 . ?
C5N N3N 1.479(13) . ?
C5N H5N1 0.9600 . ?
C5N H5N2 0.9600 . ?
C5N H5N3 0.9600 . ?
C6A C7A 1.346(15) . ?
C6A H6A 0.9300 . ?
C6B C7B 1.375(15) . ?
C6B H6B 0.9300 . ?
C7A C8A 1.430(13) 2_575 ?
C7A H7A 0.9300 . ?
C7B C8B 1.430(13) 2_576 ?
C7B H7B 0.9300 . ?
C8A C7A 1.430(13) 2_575 ?
C8A C3A 1.432(11) 2_575 ?
C8B C3B 1.418(13) 2_576 ?
C8B C7B 1.430(13) 2_576 ?
N1C H1C1 0.8600 . ?
N1C H1C2 0.8600 . ?
O2A Dy1 2.326(5) 2_565 ?
O2C C1C 1.220(12) 2_565 ?

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
_geom_angle_publ_flag
O1C Dy1 O2C 120.7(3) . . ?
O1C Dy1 O2A 78.4(3) . 2_565 ?
O2C Dy1 O2A 76.8(2) . 2_565 ?
O1C Dy1 O1A 71.1(3) . . ?
O2C Dy1 O1A 79.3(3) . . ?
O2A Dy1 O1A 123.1(2) 2_565 . ?
O1C Dy1 O1N 145.6(3) . . ?
O2C Dy1 O1N 79.9(3) . . ?
O2A Dy1 O1N 80.6(2) 2_565 . ?
O1A Dy1 O1N 143.2(3) . . ?
O1C Dy1 O2B 95.5(3) . . ?
O2C Dy1 O2B 127.3(2) . . ?
O2A Dy1 O2B 152.7(2) 2_565 . ?
O1A Dy1 O2B 78.4(2) . . ?
O1N Dy1 O2B 90.7(2) . . ?
O1C Dy1 O1M 73.5(3) . . ?
O2C Dy1 O1M 147.4(3) . . ?
O2A Dy1 O1M 78.2(2) 2_565 . ?
O1A Dy1 O1M 132.5(3) . . ?
O1N Dy1 O1M 75.6(3) . . ?
O2B Dy1 O1M 74.6(2) . . ?
O1C Dy1 O1B 135.9(3) . . ?
O2C Dy1 O1B 74.1(2) . . ?
O2A Dy1 O1B 143.6(2) 2_565 . ?
O1A Dy1 O1B 72.0(2) . . ?
O1N Dy1 O1B 73.2(2) . . ?
O2B Dy1 O1B 53.7(2) . . ?
O1M Dy1 O1B 117.8(2) . . ?
O1C Dy1 C1B 116.4(3) . . ?
O2C Dy1 C1B 100.7(3) . . ?
O2A Dy1 C1B 162.8(3) 2_565 . ?
O1A Dy1 C1B 72.3(2) . . ?
O1N Dy1 C1B 82.2(2) . . ?
O2B Dy1 C1B 26.8(3) . . ?
O1M Dy1 C1B 97.0(3) . . ?
O1B Dy1 C1B 27.0(3) . . ?
O1A C1A O2A 126.1(7) . . ?
O1A C1A C2A 117.3(7) . . ?
O2A C1A C2A 116.6(7) . . ?
O2B C1B O1B 122.7(8) . . ?
O2B C1B C2B 119.3(9) . . ?
O1B C1B C2B 117.9(10) . . ?
O2B C1B Dy1 59.8(4) . . ?
O1B C1B Dy1 63.1(5) . . ?
C2B C1B Dy1 177.9(7) . . ?
O2C C1C O1C 124.9(11) 2_565 . ?
O2C C1C C2C 118.5(10) 2_565 . ?
O1C C1C C2C 116.6(10) . . ?
C8A C2A C3A 120.6(7) . . ?
C8A C2A C1A 120.0(8) . . ?
C3A C2A C1A 119.4(8) . . ?
C3B C2B C8B 120.1(8) . . ?
C3B C2B C1B 119.3(9) . . ?
C8B C2B C1B 120.7(8) . . ?
C4C C2C C3C 118.6(9) . . ?
C4C C2C C1C 120.1(9) . . ?
C3C C2C C1C 121.3(9) . . ?
O1M C2M N3M 127.6(11) . . ?
O1M C2M H2M 116.2 . . ?
N3M C2M H2M 116.2 . . ?
O1N C2N N3N 126.0(11) . . ?
O1N C2N H2N 117.0 . . ?
N3N C2N H2N 117.0 . . ?
C2A C3A C4A 122.7(8) . . ?
C2A C3A C8A 118.8(8) . 2_575 ?
C4A C3A C8A 118.4(9) . 2_575 ?
C2B C3B C8B 120.0(10) . 2_576 ?
C2B C3B C4B 121.6(9) . . ?
C8B C3B C4B 118.3(9) 2_576 . ?
C4C C3C C2C 118.6(9) 2_665 . ?
C4C C3C N1C 119.9(12) 2_665 . ?
C2C C3C N1C 121.4(13) . . ?
C5A C4A C3A 121.6(9) . . ?
C5A C4A H4A 119.2 . . ?
C3A C4A H4A 119.2 . . ?
C5B C4B C3B 120.0(9) . . ?
C5B C4B H4B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C2C C4C C3C 122.9(10) . 2_665 ?
C2C C4C H4C 118.6 . . ?
C3C C4C H4C 118.6 2_665 . ?
N3M C4M H4M1 109.8 . . ?
N3M C4M H4M2 109.4 . . ?
H4M1 C4M H4M2 109.5 . . ?
N3M C4M H4M3 109.9 . . ?
H4M1 C4M H4M3 109.0 . . ?
H4M2 C4M H4M3 109.2 . . ?
N3N C4N H4N1 110.6 . . ?
N3N C4N H4N2 111.0 . . ?
H4N1 C4N H4N2 108.0 . . ?
N3N C4N H4N3 109.6 . . ?
H4N1 C4N H4N3 109.0 . . ?
H4N2 C4N H4N3 108.7 . . ?
C4A C5A C6A 121.1(11) . . ?
C4A C5A H5A 119.5 . . ?
C6A C5A H5A 119.5 . . ?
C4B C5B C6B 121.2(11) . . ?
C4B C5B H5B 119.4 . . ?
C6B C5B H5B 119.4 . . ?
N3M C5M H5M1 109.5 . . ?
N3M C5M H5M2 109.5 . . ?
H5M1 C5M H5M2 109.5 . . ?
N3M C5M H5M3 109.5 . . ?
H5M1 C5M H5M3 109.5 . . ?
H5M2 C5M H5M3 109.5 . . ?
N3N C5N H5N1 109.5 . . ?
N3N C5N H5N2 109.5 . . ?
H5N1 C5N H5N2 109.5 . . ?
N3N C5N H5N3 109.5 . . ?
H5N1 C5N H5N3 109.5 . . ?
H5N2 C5N H5N3 109.5 . . ?
C7A C6A C5A 119.5(11) . . ?
C7A C6A H6A 120.3 . . ?
C5A C6A H6A 120.3 . . ?
C7B C6B C5B 119.6(10) . . ?
C7B C6B H6B 120.2 . . ?
C5B C6B H6B 120.2 . . ?
C6A C7A C8A 122.2(10) . 2_575 ?
C6A C7A H7A 118.9 . . ?
C8A C7A H7A 118.9 2_575 . ?
C6B C7B C8B 121.8(9) . 2_576 ?
C6B C7B H7B 119.1 . . ?
C8B C7B H7B 119.1 2_576 . ?
C2A C8A C7A 122.4(8) . 2_575 ?
C2A C8A C3A 120.6(8) . 2_575 ?
C7A C8A C3A 117.1(9) 2_575 2_575 ?
C2B C8B C3B 119.9(9) . 2_576 ?
C2B C8B C7B 121.1(9) . 2_576 ?
C3B C8B C7B 119.0(10) 2_576 2_576 ?
C3C N1C H1C1 120.0 . . ?
C3C N1C H1C2 120.0 . . ?
H1C1 N1C H1C2 120.0 . . ?
C2M N3M C4M 122.9(12) . . ?
C2M N3M C5M 120.2(12) . . ?
C4M N3M C5M 116.9(11) . . ?
C2N N3N C4N 119.9(10) . . ?
C2N N3N C5N 121.1(11) . . ?
C4N N3N C5N 118.9(10) . . ?
C1A O1A Dy1 141.5(6) . . ?
C1B O1B Dy1 90.0(6) . . ?
C1C O1C Dy1 149.5(8) . . ?
C2M O1M Dy1 128.5(7) . . ?
C2N O1N Dy1 131.8(6) . . ?
C1A O2A Dy1 149.1(5) . 2_565 ?
C1B O2B Dy1 93.4(5) . . ?
C1C O2C Dy1 139.7(8) 2_565 . ?

_refine_diff_density_max         1.200
_refine_diff_density_min         -1.148
_refine_diff_density_rms         0.165

_shelxl_version_number           2014-3



# start Validation Reply Form
_vrf_THETM01_arr3030             
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: Crystal structure contains voids in which solvent molecules were
not located, a fact that makes this compound to diffract only up to relatively
low theta angles.
;
_vrf_PLAT601_arr3030             
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        285 Ang3  
RESPONSE: Despite the voids contained in the structure, solvent molecules could
not be located and SQUEEZE routine was applied to extract the residual electron
density placed in the voids.
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dycn
_database_code_depnum_ccdc_archive 'CCDC 1451705'
_audit_update_record             
;
2016-02-03 deposited with the CCDC.
2016-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014


_chemical_name_systematic        
Poly[(mu4-5-cyanide-1,3-dicarboxylato-kO:kO':kO'':kO''')bis(mu3-5-cyanide-1,3-dicarboxylato-kO:kO':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H37 Dy2 N7 O16'
_chemical_formula_sum            'C39 H37 Dy2 N7 O16'
_chemical_formula_weight         1184.75

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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_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'

_cell_length_a                   24.5907(8)
_cell_length_b                   17.8811(8)
_cell_length_c                   25.0765(9)
_cell_angle_alpha                90
_cell_angle_beta                 104.335(2)
_cell_angle_gamma                90
_cell_volume                     10683.0(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    26843
_cell_measurement_theta_min      2.278
_cell_measurement_theta_max      28.781

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.000 0.000 189.8 2.9
2 0.000 0.000 0.500 189.8 2.9
3 0.500 0.000 0.197 908.3 13.0
4 0.183 0.202 0.633 7.4 -0.1
5 0.817 0.202 0.867 7.3 -0.2
6 0.000 0.500 0.782 908.2 13.0
7 0.317 0.298 0.367 7.3 -0.1
8 0.683 0.298 0.133 7.3 0.1
9 0.500 0.500 1.000 189.8 2.9
10 0.500 0.500 0.500 189.8 2.9
11 0.317 0.702 0.867 7.3 -0.2
12 0.683 0.702 0.633 7.4 -0.1
13 0.183 0.798 0.133 7.3 0.1
14 0.817 0.798 0.367 7.3 -0.1
_platon_squeeze_details          
;
;

_exptl_crystal_description       'square plate'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_F_000             4640
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    2.840
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.644
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.2012
_diffrn_reflns_number            18561
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.278
_diffrn_reflns_theta_max         28.781
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13839
_reflns_number_gt                11625
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_structure_solution    'Sir92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+0.9661P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13839
_refine_ls_number_parameters     585
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0251
_refine_ls_wR_factor_ref         0.0614
_refine_ls_wR_factor_gt          0.0591
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.40838(2) -0.57644(2) -0.25821(2) 0.01064(3) Uani 1 1 d . . . . .
Dy2 Dy 0.71556(2) -0.19097(2) 0.05628(2) 0.01028(3) Uani 1 1 d . . . . .
C1A C 0.52257(11) -0.40635(14) -0.13653(10) 0.0152(5) Uani 1 1 d . . . . .
C1B C 0.51004(11) -0.73039(15) -0.13083(10) 0.0155(5) Uani 1 1 d . . . . .
C1C C 0.74955(11) -0.43583(14) 0.08744(10) 0.0142(5) Uani 1 1 d . . . . .
C2A C 0.57725(11) -0.38188(14) -0.11569(10) 0.0146(5) Uani 1 1 d . . . . .
H2A H 0.6062 -0.4041 -0.1279 0.018 Uiso 1 1 calc R U . . .
C2B C 0.45774(11) -0.73978(15) -0.11971(10) 0.0156(5) Uani 1 1 d . . . . .
H2B H 0.4282 -0.7082 -0.1358 0.019 Uiso 1 1 calc R U . . .
C2C C 0.71212(11) -0.42102(15) 0.11952(10) 0.0155(5) Uani 1 1 d . . . . .
H2C H 0.6941 -0.3749 0.1170 0.019 Uiso 1 1 calc R U . . .
C2L C 0.32548(12) -0.61002(18) -0.37838(11) 0.0243(6) Uani 1 1 d . . . . .
H2L H 0.3237 -0.6592 -0.3668 0.029 Uiso 1 1 calc R U . . .
C2M C 0.69779(13) -0.01833(17) 0.09454(12) 0.0267(7) Uani 1 1 d . . . . .
H2M H 0.6799 -0.0119 0.0576 0.032 Uiso 1 1 calc R U . . .
C2N C 0.80056(14) -0.18976(17) 0.18289(12) 0.0280(7) Uani 1 1 d . . . . .
H2N H 0.8090 -0.1412 0.1743 0.034 Uiso 1 1 calc R U . . .
C2P C 0.34158(16) -0.74056(19) -0.23973(13) 0.0362(8) Uani 1 1 d . . . . .
H2P H 0.3134 -0.7352 -0.2212 0.043 Uiso 1 1 calc R U . . .
C3A C 0.58990(11) -0.32410(14) -0.07642(10) 0.0144(5) Uani 1 1 d . . . . .
C3B C 0.44973(11) -0.79668(15) -0.08432(10) 0.0155(5) Uani 1 1 d . . . . .
C3C C 0.70165(11) -0.47542(15) 0.15549(10) 0.0158(5) Uani 1 1 d . . . . .
C4A C 0.54562(12) -0.29141(16) -0.05906(11) 0.0210(6) Uani 1 1 d . . . . .
H4A H 0.5529 -0.2531 -0.0332 0.025 Uiso 1 1 calc R U . . .
C4B C 0.49347(12) -0.84413(16) -0.06028(11) 0.0204(6) Uani 1 1 d . . . . .
H4B H 0.4878 -0.8828 -0.0374 0.024 Uiso 1 1 calc R U . . .
C4C C 0.72757(12) -0.54457(16) 0.15861(11) 0.0205(6) Uani 1 1 d . . . . .
H4C H 0.7208 -0.5807 0.1829 0.025 Uiso 1 1 calc R U . . .
C4L C 0.31662(19) -0.5230(2) -0.45292(14) 0.0511(11) Uani 1 1 d . . . . .
H4L1 H 0.2820 -0.5104 -0.4787 0.077 Uiso 1 1 calc R U . . .
H4L2 H 0.3467 -0.5214 -0.4711 0.077 Uiso 1 1 calc R U . . .
H4L3 H 0.3239 -0.4877 -0.4231 0.077 Uiso 1 1 calc R U . . .
C4M C 0.72234(13) 0.03261(17) 0.18717(11) 0.0255(6) Uani 1 1 d . . . . .
H4M1 H 0.7439 -0.0127 0.1943 0.038 Uiso 1 1 calc R U . . .
H4M2 H 0.6943 0.0324 0.2078 0.038 Uiso 1 1 calc R U . . .
H4M3 H 0.7467 0.0748 0.1979 0.038 Uiso 1 1 calc R U . . .
C4N C 0.8165(3) -0.2948(3) 0.2441(3) 0.160(4) Uani 1 1 d . . . . .
H4N1 H 0.7905 -0.2897 0.2668 0.240 Uiso 1 1 calc R U . . .
H4N2 H 0.8497 -0.3199 0.2644 0.240 Uiso 1 1 calc R U . . .
H4N3 H 0.7995 -0.3234 0.2119 0.240 Uiso 1 1 calc R U . . .
C4P C 0.41396(19) -0.8186(2) -0.26110(17) 0.0518(11) Uani 1 1 d . . . . .
H4P1 H 0.4210 -0.7736 -0.2792 0.078 Uiso 1 1 calc R U . . .
H4P2 H 0.4045 -0.8583 -0.2876 0.078 Uiso 1 1 calc R U . . .
H4P3 H 0.4470 -0.8320 -0.2333 0.078 Uiso 1 1 calc R U . . .
C5A C 0.49068(12) -0.31573(17) -0.08028(11) 0.0223(6) Uani 1 1 d . . . . .
C5B C 0.54585(12) -0.83346(17) -0.07065(11) 0.0218(6) Uani 1 1 d . . . . .
C5C C 0.76373(12) -0.55986(15) 0.12532(11) 0.0193(6) Uani 1 1 d . . . . .
C5L C 0.2960(2) -0.6569(2) -0.47193(15) 0.0600(13) Uani 1 1 d . . . . .
H5L1 H 0.2942 -0.7034 -0.4533 0.090 Uiso 1 1 calc R U . . .
H5L2 H 0.3229 -0.6608 -0.4937 0.090 Uiso 1 1 calc R U . . .
H5L3 H 0.2597 -0.6457 -0.4954 0.090 Uiso 1 1 calc R U . . .
C5M C 0.6678(2) 0.1078(2) 0.10980(16) 0.0655(14) Uani 1 1 d . . . . .
H5M1 H 0.6518 0.1053 0.0708 0.098 Uiso 1 1 calc R U . . .
H5M2 H 0.6948 0.1477 0.1177 0.098 Uiso 1 1 calc R U . . .
H5M3 H 0.6387 0.1170 0.1283 0.098 Uiso 1 1 calc R U . . .
C5N C 0.8779(3) -0.1799(3) 0.2637(2) 0.105(2) Uani 1 1 d . . . . .
H5N1 H 0.8806 -0.1305 0.2495 0.158 Uiso 1 1 calc R U . . .
H5N2 H 0.9123 -0.2065 0.2657 0.158 Uiso 1 1 calc R U . . .
H5N3 H 0.8713 -0.1764 0.2997 0.158 Uiso 1 1 calc R U . . .
C5P C 0.3501(2) -0.8692(2) -0.20740(16) 0.0589(13) Uani 1 1 d . . . . .
H5P1 H 0.3213 -0.8533 -0.1902 0.088 Uiso 1 1 calc R U . . .
H5P2 H 0.3816 -0.8878 -0.1799 0.088 Uiso 1 1 calc R U . . .
H5P3 H 0.3358 -0.9082 -0.2334 0.088 Uiso 1 1 calc R U . . .
C6A C 0.47884(11) -0.37420(16) -0.11824(11) 0.0190(5) Uani 1 1 d . . . . .
H6A H 0.4423 -0.3915 -0.1312 0.023 Uiso 1 1 calc R U . . .
C6B C 0.55441(11) -0.77544(16) -0.10556(10) 0.0180(5) Uani 1 1 d . . . . .
H6B H 0.5898 -0.7675 -0.1116 0.022 Uiso 1 1 calc R U . . .
C6C C 0.77504(11) -0.50511(15) 0.08993(10) 0.0167(5) Uani 1 1 d . . . . .
H6C H 0.7997 -0.5152 0.0680 0.020 Uiso 1 1 calc R U . . .
C11A C 0.50964(11) -0.46934(15) -0.17805(10) 0.0150(5) Uani 1 1 d . . . . .
C11B C 0.51672(11) -0.67327(15) -0.17283(10) 0.0166(5) Uani 1 1 d . . . . .
C11C C 0.76127(11) -0.37797(14) 0.04791(10) 0.0134(5) Uani 1 1 d . . . . .
C31A C 0.64897(11) -0.29891(15) -0.05270(10) 0.0154(5) Uani 1 1 d . . . . .
C31B C 0.39206(11) -0.80788(15) -0.07472(10) 0.0160(5) Uani 1 1 d . . . . .
C31C C 0.33965(11) -0.53976(15) -0.18969(10) 0.0158(5) Uani 1 1 d . . . . .
C51A C 0.44473(13) -0.2804(2) -0.06291(14) 0.0327(7) Uani 1 1 d . . . . .
C51B C 0.59190(13) -0.88214(18) -0.04663(12) 0.0287(7) Uani 1 1 d . . . . .
C51C C 0.78817(14) -0.63358(17) 0.12612(12) 0.0285(7) Uani 1 1 d . . . . .
N3L N 0.31263(12) -0.59740(15) -0.43155(10) 0.0290(6) Uani 1 1 d . . . . .
N3M N 0.69536(11) 0.03754(14) 0.12877(10) 0.0292(6) Uani 1 1 d . . . . .
N3N N 0.83164(18) -0.21968(19) 0.22735(15) 0.0699(12) Uani 1 1 d . . . . .
N3P N 0.36780(14) -0.80625(15) -0.23579(11) 0.0375(7) Uani 1 1 d . . . . .
N51A N 0.40804(13) -0.2542(2) -0.05007(14) 0.0574(10) Uani 1 1 d . . . . .
N51B N 0.62860(13) -0.92161(18) -0.02848(12) 0.0437(8) Uani 1 1 d . . . . .
N51C N 0.80734(15) -0.69207(16) 0.12586(13) 0.0440(8) Uani 1 1 d . . . . .
O1L O 0.33981(8) -0.56157(11) -0.34252(8) 0.0231(4) Uani 1 1 d . . . . .
O1M O 0.72231(8) -0.07850(10) 0.10843(7) 0.0196(4) Uani 1 1 d . . . . .
O1N O 0.76055(9) -0.22121(12) 0.15123(8) 0.0248(4) Uani 1 1 d . . . . .
O1P O 0.35181(10) -0.68637(12) -0.26604(9) 0.0339(5) Uani 1 1 d . . . . .
O11A O 0.46009(8) -0.49203(12) -0.19136(8) 0.0250(5) Uani 1 1 d . . . . .
O11B O 0.47219(8) -0.65166(12) -0.20542(8) 0.0234(4) Uani 1 1 d . . . . .
O11C O 0.74535(8) -0.31168(10) 0.05169(8) 0.0178(4) Uani 1 1 d . . . . .
O12A O 0.45023(8) -0.49289(11) -0.30409(8) 0.0215(4) Uani 1 1 d . . . . .
O12B O 0.56502(8) -0.65371(11) -0.17431(8) 0.0216(4) Uani 1 1 d . . . . .
O12C O 0.78588(8) -0.39963(10) 0.01216(7) 0.0164(4) Uani 1 1 d . . . . .
O31 O 0.68730(8) -0.33220(10) -0.06776(7) 0.0169(4) Uani 1 1 d . . . . .
O31B O 0.35412(8) -0.76127(11) -0.09644(8) 0.0215(4) Uani 1 1 d . . . . .
O31C O 0.37335(9) -0.59302(11) -0.17561(8) 0.0243(5) Uani 1 1 d . . . . .
O32A O 0.65447(8) -0.24549(10) -0.01974(7) 0.0189(4) Uani 1 1 d . . . . .
O32B O 0.38353(8) -0.86178(10) -0.04564(8) 0.0192(4) Uani 1 1 d . . . . .
O32C O 0.33823(8) -0.49957(11) -0.23152(7) 0.0173(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O11B 2.2350(19) . ?
Dy1 O12A 2.2806(18) . ?
Dy1 O1L 2.3703(19) . ?
Dy1 O11A 2.3769(19) . ?
Dy1 O1P 2.388(2) . ?
Dy1 O12B 2.3976(17) 2_654 ?
Dy1 O32C 2.4259(17) . ?
Dy1 O31C 2.4504(17) . ?
Dy1 C31C 2.771(2) . ?
Dy2 O11C 2.2914(18) . ?
Dy2 O32A 2.3285(18) . ?
Dy2 O31B 2.3526(17) 5_645 ?
Dy2 O12C 2.3539(17) 7_645 ?
Dy2 O31 2.3707(18) 7_645 ?
Dy2 O1M 2.3822(18) . ?
Dy2 O1N 2.4252(19) . ?
Dy2 O32B 2.5644(19) 5_645 ?
Dy2 C31B 2.797(2) 5_645 ?
C1A C2A 1.387(4) . ?
C1A C6A 1.393(3) . ?
C1A C11A 1.513(3) . ?
C1B C6B 1.378(4) . ?
C1B C2B 1.392(3) . ?
C1B C11B 1.505(3) . ?
C1C C6C 1.383(3) . ?
C1C C2C 1.390(3) . ?
C1C C11C 1.509(3) . ?
C2A C3A 1.408(3) . ?
C2B C3B 1.396(3) . ?
C2C C3C 1.393(3) . ?
C2L O1L 1.235(3) . ?
C2L N3L 1.312(4) . ?
C2M O1M 1.240(3) . ?
C2M N3M 1.328(3) . ?
C2N O1N 1.236(4) . ?
C2N N3N 1.300(4) . ?
C2P O1P 1.233(4) . ?
C2P N3P 1.332(4) . ?
C3A C4A 1.397(3) . ?
C3A C31A 1.496(4) . ?
C3B C4B 1.385(4) . ?
C3B C31B 1.510(3) . ?
C3C C4C 1.385(4) . ?
C3C C31C 1.507(3) 5_645 ?
C4A C5A 1.393(4) . ?
C4B C5B 1.389(4) . ?
C4C C5C 1.389(3) . ?
C4L N3L 1.447(4) . ?
C4M N3M 1.453(4) . ?
C4N N3N 1.482(6) . ?
C4P N3P 1.448(4) . ?
C5A C6A 1.395(4) . ?
C5A C51A 1.452(4) . ?
C5B C6B 1.407(4) . ?
C5B C51B 1.437(4) . ?
C5C C6C 1.395(3) . ?
C5C C51C 1.447(4) . ?
C5L N3L 1.456(4) . ?
C5M N3M 1.450(4) . ?
C5N N3N 1.455(5) . ?
C5P N3P 1.455(4) . ?
C11A O11A 1.249(3) . ?
C11A O12A 1.253(3) 2_654 ?
C11B O12B 1.248(3) . ?
C11B O11B 1.254(3) . ?
C11C O11C 1.259(3) . ?
C11C O12C 1.260(3) . ?
C31A O32A 1.248(3) . ?
C31A O31 1.250(3) . ?
C31B O32B 1.257(3) . ?
C31B O31B 1.269(3) . ?
C31B Dy2 2.797(2) 5_645 ?
C31C O31C 1.254(3) . ?
C31C O32C 1.265(3) . ?
C31C C3C 1.507(3) 5_645 ?
C51A N51A 1.132(4) . ?
C51B N51B 1.147(4) . ?
C51C N51C 1.148(4) . ?
O12A C11A 1.253(3) 2_654 ?
O12B Dy1 2.3976(17) 2_654 ?
O12C Dy2 2.3539(17) 7_645 ?
O31 Dy2 2.3706(18) 7_645 ?
O31B Dy2 2.3527(17) 5_645 ?
O32B Dy2 2.5646(19) 5_645 ?

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
_geom_angle_publ_flag
O11B Dy1 O12A 110.78(7) . . ?
O11B Dy1 O1L 146.71(7) . . ?
O12A Dy1 O1L 77.69(7) . . ?
O11B Dy1 O11A 77.87(8) . . ?
O12A Dy1 O11A 73.17(7) . . ?
O1L Dy1 O11A 134.11(7) . . ?
O11B Dy1 O1P 82.10(8) . . ?
O12A Dy1 O1P 145.51(7) . . ?
O1L Dy1 O1P 75.39(8) . . ?
O11A Dy1 O1P 141.23(7) . . ?
O11B Dy1 O12B 78.29(7) . 2_654 ?
O12A Dy1 O12B 77.62(7) . 2_654 ?
O1L Dy1 O12B 72.13(6) . 2_654 ?
O11A Dy1 O12B 132.22(7) . 2_654 ?
O1P Dy1 O12B 73.90(7) . 2_654 ?
O11B Dy1 O32C 128.35(6) . . ?
O12A Dy1 O32C 102.04(7) . . ?
O1L Dy1 O32C 77.59(6) . . ?
O11A Dy1 O32C 74.83(7) . . ?
O1P Dy1 O32C 92.83(7) . . ?
O12B Dy1 O32C 149.11(6) 2_654 . ?
O11B Dy1 O31C 76.63(6) . . ?
O12A Dy1 O31C 143.39(7) . . ?
O1L Dy1 O31C 116.50(7) . . ?
O11A Dy1 O31C 73.69(7) . . ?
O1P Dy1 O31C 69.53(7) . . ?
O12B Dy1 O31C 137.84(7) 2_654 . ?
O32C Dy1 O31C 54.02(6) . . ?
O11B Dy1 C31C 102.81(7) . . ?
O12A Dy1 C31C 125.35(7) . . ?
O1L Dy1 C31C 96.79(7) . . ?
O11A Dy1 C31C 73.39(7) . . ?
O1P Dy1 C31C 79.24(8) . . ?
O12B Dy1 C31C 152.74(7) 2_654 . ?
O32C Dy1 C31C 27.15(7) . . ?
O31C Dy1 C31C 26.91(7) . . ?
O11C Dy2 O32A 73.38(7) . . ?
O11C Dy2 O31B 87.44(6) . 5_645 ?
O32A Dy2 O31B 78.92(7) . 5_645 ?
O11C Dy2 O12C 123.98(6) . 7_645 ?
O32A Dy2 O12C 78.53(7) . 7_645 ?
O31B Dy2 O12C 132.91(7) 5_645 7_645 ?
O11C Dy2 O31 81.12(7) . 7_645 ?
O32A Dy2 O31 126.80(6) . 7_645 ?
O31B Dy2 O31 146.12(7) 5_645 7_645 ?
O12C Dy2 O31 78.53(6) 7_645 7_645 ?
O11C Dy2 O1M 147.47(7) . . ?
O32A Dy2 O1M 138.24(7) . . ?
O31B Dy2 O1M 91.75(7) 5_645 . ?
O12C Dy2 O1M 78.79(6) 7_645 . ?
O31 Dy2 O1M 81.64(6) 7_645 . ?
O11C Dy2 O1N 76.44(7) . . ?
O32A Dy2 O1N 139.06(7) . . ?
O31B Dy2 O1N 72.68(7) 5_645 . ?
O12C Dy2 O1N 142.19(7) 7_645 . ?
O31 Dy2 O1N 73.66(6) 7_645 . ?
O1M Dy2 O1N 72.32(7) . . ?
O11C Dy2 O32B 130.44(6) . 5_645 ?
O32A Dy2 O32B 70.43(6) . 5_645 ?
O31B Dy2 O32B 53.42(6) 5_645 5_645 ?
O12C Dy2 O32B 80.13(6) 7_645 5_645 ?
O31 Dy2 O32B 148.35(6) 7_645 5_645 ?
O1M Dy2 O32B 71.45(6) . 5_645 ?
O1N Dy2 O32B 112.02(6) . 5_645 ?
O11C Dy2 C31B 109.19(7) . 5_645 ?
O32A Dy2 C31B 71.78(7) . 5_645 ?
O31B Dy2 C31B 26.79(7) 5_645 5_645 ?
O12C Dy2 C31B 106.35(7) 7_645 5_645 ?
O31 Dy2 C31B 161.32(7) 7_645 5_645 ?
O1M Dy2 C31B 81.70(7) . 5_645 ?
O1N Dy2 C31B 93.23(7) . 5_645 ?
O32B Dy2 C31B 26.67(7) 5_645 5_645 ?
C2A C1A C6A 120.1(2) . . ?
C2A C1A C11A 120.8(2) . . ?
C6A C1A C11A 119.1(2) . . ?
C6B C1B C2B 120.2(2) . . ?
C6B C1B C11B 120.5(2) . . ?
C2B C1B C11B 119.2(2) . . ?
C6C C1C C2C 120.2(2) . . ?
C6C C1C C11C 119.1(2) . . ?
C2C C1C C11C 120.7(2) . . ?
C1A C2A C3A 121.4(2) . . ?
C1B C2B C3B 119.9(2) . . ?
C1C C2C C3C 119.8(2) . . ?
O1L C2L N3L 125.0(3) . . ?
O1M C2M N3M 124.6(3) . . ?
O1N C2N N3N 124.7(3) . . ?
O1P C2P N3P 125.0(3) . . ?
C4A C3A C2A 118.1(2) . . ?
C4A C3A C31A 120.3(2) . . ?
C2A C3A C31A 121.6(2) . . ?
C4B C3B C2B 120.4(2) . . ?
C4B C3B C31B 120.5(2) . . ?
C2B C3B C31B 119.0(2) . . ?
C4C C3C C2C 120.3(2) . . ?
C4C C3C C31C 119.6(2) . 5_645 ?
C2C C3C C31C 120.1(2) . 5_645 ?
C5A C4A C3A 120.5(3) . . ?
C3B C4B C5B 119.4(2) . . ?
C3C C4C C5C 119.7(2) . . ?
C4A C5A C6A 120.9(2) . . ?
C4A C5A C51A 120.2(3) . . ?
C6A C5A C51A 118.9(3) . . ?
C4B C5B C6B 120.4(3) . . ?
C4B C5B C51B 120.6(2) . . ?
C6B C5B C51B 118.9(2) . . ?
C4C C5C C6C 120.2(2) . . ?
C4C C5C C51C 119.8(2) . . ?
C6C C5C C51C 120.1(2) . . ?
C1A C6A C5A 119.1(2) . . ?
C1B C6B C5B 119.6(2) . . ?
C1C C6C C5C 119.9(2) . . ?
O11A C11A O12A 126.7(2) . 2_654 ?
O11A C11A C1A 116.8(2) . . ?
O12A C11A C1A 116.5(2) 2_654 . ?
O12B C11B O11B 125.3(2) . . ?
O12B C11B C1B 118.7(2) . . ?
O11B C11B C1B 115.9(2) . . ?
O11C C11C O12C 123.8(2) . . ?
O11C C11C C1C 118.8(2) . . ?
O12C C11C C1C 117.4(2) . . ?
O32A C31A O31 126.7(2) . . ?
O32A C31A C3A 115.4(2) . . ?
O31 C31A C3A 117.9(2) . . ?
O32B C31B O31B 122.8(2) . . ?
O32B C31B C3B 119.5(2) . . ?
O31B C31B C3B 117.7(2) . . ?
O32B C31B Dy2 66.30(14) . 5_645 ?
O31B C31B Dy2 56.68(12) . 5_645 ?
C3B C31B Dy2 172.79(18) . 5_645 ?
O31C C31C O32C 123.1(2) . . ?
O31C C31C C3C 117.9(2) . 5_645 ?
O32C C31C C3C 119.0(2) . 5_645 ?
O31C C31C Dy1 62.16(12) . . ?
O32C C31C Dy1 61.06(12) . . ?
C3C C31C Dy1 174.78(19) 5_645 . ?
N51A C51A C5A 178.3(4) . . ?
N51B C51B C5B 178.6(3) . . ?
N51C C51C C5C 178.9(3) . . ?
C2L N3L C4L 120.9(3) . . ?
C2L N3L C5L 122.5(3) . . ?
C4L N3L C5L 116.6(3) . . ?
C2M N3M C5M 122.1(3) . . ?
C2M N3M C4M 121.5(3) . . ?
C5M N3M C4M 116.3(2) . . ?
C2N N3N C5N 122.5(4) . . ?
C2N N3N C4N 118.7(4) . . ?
C5N N3N C4N 118.6(4) . . ?
C2P N3P C4P 121.3(3) . . ?
C2P N3P C5P 121.4(3) . . ?
C4P N3P C5P 117.3(3) . . ?
C2L O1L Dy1 125.62(19) . . ?
C2M O1M Dy2 127.97(18) . . ?
C2N O1N Dy2 128.78(19) . . ?
C2P O1P Dy1 142.6(2) . . ?
C11A O11A Dy1 135.32(17) . . ?
C11B O11B Dy1 160.6(2) . . ?
C11C O11C Dy2 178.60(19) . . ?
C11A O12A Dy1 153.38(18) 2_654 . ?
C11B O12B Dy1 127.63(17) . 2_654 ?
C11C O12C Dy2 112.57(16) . 7_645 ?
C31A O31 Dy2 133.85(17) . 7_645 ?
C31B O31B Dy2 96.53(14) . 5_645 ?
C31C O31C Dy1 90.93(14) . . ?
C31A O32A Dy2 143.57(18) . . ?
C31B O32B Dy2 87.04(16) . 5_645 ?
C31C O32C Dy1 91.79(15) . . ?

_refine_diff_density_max         0.939
_refine_diff_density_min         -0.780
_refine_diff_density_rms         0.108

_shelxl_version_number           2014-3



# start Validation Reply Form
_vrf_PLAT222_dycn                
;
PROBLEM: Large Non-Solvent  H     Uiso(max)/Uiso(min) ...       10.0 Ratio 
RESPONSE: These hydrogen atoms belong to carbon atoms of highly disordered
DMF molecules that have been geometrically disordered with ellipsoids 150%
those of the parent atoms.
;
_vrf_PLAT220_dycn                
;
PROBLEM: Large Non-Solvent  C     Ueq(max)/Ueq(min) Range       10.0 Ratio 
RESPONSE: The parent atoms of the abovementioned hydrogen atoms are affected
by the same effect.
;
_vrf_PLAT919_dycn                
;
PROBLEM: Reflection # Likely Affected by the Beamstop ...          1 Check 
RESPONSE: ...
;
_vrf_PLAT934_dycn                
;
PROBLEM: Number of (Iobs-Icalc)/SigmaW > 10 Outliers ....          2 Check 
RESPONSE: ...
;
# end Validation Reply Form
