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


data_MINOF-1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H10 Cu4 O17 Se, 6(H2O)'
_chemical_formula_sum            'C18 H22 Cu4 O23 Se'
_chemical_formula_weight         939.48

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

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'

_cell_length_a                   41.0363(18)
_cell_length_b                   12.1733(4)
_cell_length_c                   14.1609(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.869(3)
_cell_angle_gamma                90.00
_cell_volume                     6947.1(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    18969
_cell_measurement_theta_min      2.84
_cell_measurement_theta_max      34.90

_exptl_crystal_description       plate
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3712
_exptl_absorpt_coefficient_mu    3.547
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.6800
_exptl_absorpt_correction_T_max  0.8892
_exptl_absorpt_process_details   X-Shape2

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17377
_diffrn_reflns_av_R_equivalents  0.0875
_diffrn_reflns_av_sigmaI/netI    0.0758
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.84
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6115
_reflns_number_gt                4682
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       X-AREA
_computing_data_reduction        X-AREA
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'
_publ_section_references         
;
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C.,
Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435--436.

Farrugia, L. J. (1997). ORTEP-3 for Windows. J.Appl. Cryst.
30, 565.

Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837--838.

Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford
Diffraction Ltd, Abingdon, Oxford, England.

Sheldrick, G. M. (1997). SHELXL97. University of Göttingen, Germany.

Spek, A. L. (2008). PLATON. University of Utrecht, The Netherlands.
;


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
We have applied several restraints to limit the disorder of the oxygen atoms
of lattice water molecules.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0569P)²+88.6114P] 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         6115
_refine_ls_number_parameters     415
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0639
_refine_ls_wR_factor_ref         0.1453
_refine_ls_wR_factor_gt          0.1371
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.090
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se 0.516360(19) 0.04716(6) 0.13802(5) 0.01173(18) Uani 1 1 d . . .
Cu1 Cu 0.72545(2) 0.32085(8) 0.49266(7) 0.0179(2) Uani 1 1 d . . .
Cu2 Cu 0.56196(2) -0.00278(7) -0.04574(6) 0.0120(2) Uani 1 1 d . . .
Cu3 Cu 0.54928(3) 0.22512(7) 0.07950(6) 0.0160(2) Uani 1 1 d . . .
Cu4 Cu 0.54105(2) 0.21816(7) 0.32317(6) 0.0137(2) Uani 1 1 d . . .
O1 O 0.70530(17) 0.2135(6) 0.5682(5) 0.0377(16) Uani 1 1 d . . .
O2 O 0.75155(16) 0.4031(6) 0.4134(5) 0.0367(16) Uani 1 1 d . . .
O3 O 0.74591(15) 0.1244(6) 0.3900(4) 0.0342(16) Uani 1 1 d . . .
O4 O 0.70349(16) 0.2429(6) 0.3771(4) 0.0319(15) Uani 1 1 d . . .
O5 O 0.60557(14) 0.0376(5) 0.0198(4) 0.0224(13) Uani 1 1 d . . .
O6 O 0.59628(16) 0.1305(6) 0.1482(4) 0.0342(16) Uani 1 1 d . . .
O7 O 0.6894(2) 0.4495(8) 0.4936(8) 0.076(3) Uani 1 1 d . . .
O8 O 0.55790(18) 0.2764(5) -0.0409(4) 0.0289(15) Uani 1 1 d . . .
O9 O 0.55838(16) 0.1228(4) -0.1292(4) 0.0221(13) Uani 1 1 d . . .
O10 O 0.5578(2) 0.3692(5) 0.1307(4) 0.0336(17) Uani 1 1 d . . .
O11 O 0.54517(19) 0.3686(5) 0.2791(4) 0.0333(17) Uani 1 1 d . . .
O12 O 0.54566(18) 0.2767(5) -0.5496(4) 0.0298(16) Uani 1 1 d . . .
O13 O 0.56214(16) 0.1273(4) -0.4596(4) 0.0232(13) Uani 1 1 d . . .
O14 O 0.59041(16) 0.1347(6) 0.3454(4) 0.0365(16) Uani 1 1 d . . .
O15 O 0.52311(14) 0.0899(4) 0.0295(3) 0.0163(11) Uani 1 1 d . . .
O16 O 0.53071(14) 0.1711(4) 0.1905(3) 0.0147(11) Uani 1 1 d . . .
O17 O 0.47578(13) 0.0699(4) 0.1382(3) 0.0139(11) Uani 1 1 d . . .
C1 C 0.7198(2) -0.1241(8) 0.0966(6) 0.031(2) Uani 1 1 d . . .
C2 C 0.7008(2) -0.0433(8) 0.1455(6) 0.029(2) Uani 1 1 d . . .
C3 C 0.6674(2) -0.0248(7) 0.1086(6) 0.026(2) Uani 1 1 d . . .
H3 H 0.6564 -0.0669 0.0576 0.031 Uiso 1 1 calc R . .
C4 C 0.6506(2) 0.0570(8) 0.1484(6) 0.0243(19) Uani 1 1 d . . .
C5 C 0.6665(2) 0.1185(7) 0.2267(6) 0.0229(18) Uani 1 1 d . . .
H5 H 0.6551 0.1726 0.2535 0.028 Uiso 1 1 calc R . .
C6 C 0.6998(2) 0.0974(8) 0.2642(5) 0.0235(19) Uani 1 1 d . . .
C7 C 0.7171(2) 0.0178(8) 0.2234(6) 0.028(2) Uani 1 1 d . . .
H7 H 0.7394 0.0054 0.2480 0.033 Uiso 1 1 calc R . .
C8 C 0.7177(2) 0.1600(7) 0.3505(6) 0.0213(18) Uani 1 1 d . . .
C9 C 0.6142(2) 0.0771(6) 0.1028(5) 0.0182(17) Uani 1 1 d . . .
C10 C 0.5576(2) 0.2244(6) -0.1190(5) 0.0160(16) Uani 1 1 d . . .
C11 C 0.5559(2) 0.2911(7) -0.2088(5) 0.0238(19) Uani 1 1 d . . .
C12 C 0.5564(2) 0.2355(7) -0.2942(5) 0.024(2) Uani 1 1 d . . .
H12 H 0.5586 0.1595 -0.2935 0.029 Uiso 1 1 calc R . .
C13 C 0.5538(2) 0.2920(6) -0.3805(5) 0.0221(19) Uani 1 1 d . . .
C14 C 0.5515(3) 0.4049(7) -0.3814(5) 0.027(2) Uani 1 1 d . . .
H14 H 0.5500 0.4431 -0.4389 0.032 Uiso 1 1 calc R . .
C15 C 0.5513(3) 0.4623(7) -0.2953(5) 0.025(2) Uani 1 1 d . . .
C16 C 0.5526(2) 0.4050(7) -0.2096(5) 0.025(2) Uani 1 1 d . . .
H16 H 0.5513 0.4426 -0.1532 0.029 Uiso 1 1 calc R . .
C17 C 0.5513(2) 0.4144(7) 0.2060(5) 0.0233(19) Uani 1 1 d . . .
C18 C 0.5536(2) 0.2266(6) -0.4712(5) 0.0205(18) Uani 1 1 d . . .
O18 O 0.6326(5) 0.2617(17) 0.4636(14) 0.167(7) Uani 1 1 d U . .
O19 O 0.7818(10) 0.623(3) 0.536(3) 0.329(16) Uani 1 1 d U . .
O20 O 0.8060(10) -0.094(3) 0.318(3) 0.333(16) Uani 1 1 d U . .
O21 O 0.6478(10) 0.129(3) -0.124(3) 0.323(15) Uani 1 1 d U . .
O22 O 0.6147(11) 0.565(4) -0.470(3) 0.348(17) Uani 1 1 d U . .
O24 O 0.7498(15) 0.745(5) 0.641(4) 0.48(2) Uani 1 1 d U . .


_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
Se1 O17 1.688(5) . ?
Se1 O15 1.694(5) . ?
Se1 O16 1.735(5) . ?
Se1 Cu3 2.7619(12) . ?
Cu1 O4 1.959(6) . ?
Cu1 O3 1.962(6) 7_656 ?
Cu1 O2 1.965(6) . ?
Cu1 O1 1.967(6) . ?
Cu1 O7 2.157(8) . ?
Cu1 Cu1 2.631(2) 7_656 ?
Cu2 O5 1.919(6) . ?
Cu2 O9 1.921(5) . ?
Cu2 O13 1.944(5) 6_556 ?
Cu2 O17 2.004(5) 5_655 ?
Cu2 O15 2.364(5) . ?
Cu3 O10 1.904(6) . ?
Cu3 O8 1.910(5) . ?
Cu3 O16 1.984(5) . ?
Cu3 O15 2.020(5) . ?
Cu3 O6 2.298(6) . ?
Cu4 O12 1.914(5) 1_556 ?
Cu4 O16 1.933(5) . ?
Cu4 O11 1.952(6) . ?
Cu4 O17 2.044(5) 2_655 ?
Cu4 O14 2.234(7) . ?
O1 C1 1.269(12) 6_556 ?
O2 C1 1.254(12) 4_655 ?
O3 C8 1.263(10) . ?
O3 Cu1 1.962(6) 7_656 ?
O4 C8 1.258(11) . ?
O5 C9 1.257(9) . ?
O6 C9 1.248(10) . ?
O8 C10 1.273(9) . ?
O9 C10 1.246(9) . ?
O10 C17 1.273(10) . ?
O11 C17 1.241(10) . ?
O12 C18 1.254(9) . ?
O12 Cu4 1.914(5) 1_554 ?
O13 C18 1.261(10) . ?
O13 Cu2 1.944(5) 6 ?
O17 Cu2 2.004(5) 5_655 ?
O17 Cu4 2.044(5) 2_655 ?
C1 O2 1.254(12) 4_645 ?
C1 O1 1.269(12) 6 ?
C1 C2 1.504(12) . ?
C2 C3 1.389(12) . ?
C2 C7 1.392(12) . ?
C3 C4 1.390(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.394(11) . ?
C4 C9 1.530(11) . ?
C5 C6 1.393(12) . ?
C5 H5 0.9300 . ?
C6 C7 1.389(13) . ?
C6 C8 1.509(11) . ?
C7 H7 0.9300 . ?
C10 C11 1.499(10) . ?
C11 C12 1.389(11) . ?
C11 C16 1.394(11) . ?
C12 C13 1.389(11) . ?
C12 H12 0.9300 . ?
C13 C14 1.377(11) . ?
C13 C18 1.510(10) . ?
C14 C15 1.407(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.392(11) . ?
C15 C17 1.501(11) 6_565 ?
C16 H16 0.9300 . ?
C17 C15 1.501(11) 6_566 ?

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
O17 Se1 O15 106.3(3) . . ?
O17 Se1 O16 96.4(3) . . ?
O15 Se1 O16 91.2(2) . . ?
O17 Se1 Cu3 114.24(18) . . ?
O15 Se1 Cu3 46.69(18) . . ?
O16 Se1 Cu3 45.62(16) . . ?
O4 Cu1 O3 168.5(3) . 7_656 ?
O4 Cu1 O2 89.1(3) . . ?
O3 Cu1 O2 90.4(3) 7_656 . ?
O4 Cu1 O1 87.6(3) . . ?
O3 Cu1 O1 90.6(3) 7_656 . ?
O2 Cu1 O1 168.3(3) . . ?
O4 Cu1 O7 98.6(4) . . ?
O3 Cu1 O7 92.9(4) 7_656 . ?
O2 Cu1 O7 94.7(4) . . ?
O1 Cu1 O7 96.9(4) . . ?
O4 Cu1 Cu1 88.46(19) . 7_656 ?
O3 Cu1 Cu1 80.10(19) 7_656 7_656 ?
O2 Cu1 Cu1 83.5(2) . 7_656 ?
O1 Cu1 Cu1 85.2(2) . 7_656 ?
O7 Cu1 Cu1 172.7(3) . 7_656 ?
O5 Cu2 O9 92.9(3) . . ?
O5 Cu2 O13 90.2(3) . 6_556 ?
O9 Cu2 O13 175.6(3) . 6_556 ?
O5 Cu2 O17 163.0(2) . 5_655 ?
O9 Cu2 O17 87.8(2) . 5_655 ?
O13 Cu2 O17 90.2(2) 6_556 5_655 ?
O5 Cu2 O15 107.8(2) . . ?
O9 Cu2 O15 85.3(2) . . ?
O13 Cu2 O15 90.7(2) 6_556 . ?
O17 Cu2 O15 89.2(2) 5_655 . ?
O10 Cu3 O8 89.3(2) . . ?
O10 Cu3 O16 94.2(2) . . ?
O8 Cu3 O16 168.2(3) . . ?
O10 Cu3 O15 158.6(3) . . ?
O8 Cu3 O15 97.4(2) . . ?
O16 Cu3 O15 75.5(2) . . ?
O10 Cu3 O6 102.8(3) . . ?
O8 Cu3 O6 105.0(3) . . ?
O16 Cu3 O6 85.2(2) . . ?
O15 Cu3 O6 95.1(2) . . ?
O10 Cu3 Se1 132.28(18) . . ?
O8 Cu3 Se1 135.04(18) . . ?
O16 Cu3 Se1 38.70(14) . . ?
O15 Cu3 Se1 37.60(14) . . ?
O6 Cu3 Se1 84.20(19) . . ?
O12 Cu4 O16 171.9(3) 1_556 . ?
O12 Cu4 O11 87.3(2) 1_556 . ?
O16 Cu4 O11 89.0(2) . . ?
O12 Cu4 O17 93.2(2) 1_556 2_655 ?
O16 Cu4 O17 88.6(2) . 2_655 ?
O11 Cu4 O17 165.5(3) . 2_655 ?
O12 Cu4 O14 96.4(3) 1_556 . ?
O16 Cu4 O14 91.7(2) . . ?
O11 Cu4 O14 109.9(3) . . ?
O17 Cu4 O14 84.5(2) 2_655 . ?
C1 O1 Cu1 121.5(6) 6_556 . ?
C1 O2 Cu1 123.6(6) 4_655 . ?
C8 O3 Cu1 127.7(5) . 7_656 ?
C8 O4 Cu1 118.2(5) . . ?
C9 O5 Cu2 128.6(5) . . ?
C9 O6 Cu3 125.0(5) . . ?
C10 O8 Cu3 129.8(5) . . ?
C10 O9 Cu2 136.0(5) . . ?
C17 O10 Cu3 131.7(5) . . ?
C17 O11 Cu4 137.0(6) . . ?
C18 O12 Cu4 127.9(5) . 1_554 ?
C18 O13 Cu2 134.2(5) . 6 ?
Se1 O15 Cu3 95.7(2) . . ?
Se1 O15 Cu2 120.1(3) . . ?
Cu3 O15 Cu2 100.8(2) . . ?
Se1 O16 Cu4 131.9(3) . . ?
Se1 O16 Cu3 95.7(2) . . ?
Cu4 O16 Cu3 128.7(3) . . ?
Se1 O17 Cu2 125.0(3) . 5_655 ?
Se1 O17 Cu4 121.9(3) . 2_655 ?
Cu2 O17 Cu4 106.0(2) 5_655 2_655 ?
O2 C1 O1 125.7(8) 4_645 6 ?
O2 C1 C2 117.3(9) 4_645 . ?
O1 C1 C2 117.0(9) 6 . ?
C3 C2 C7 120.3(8) . . ?
C3 C2 C1 119.6(8) . . ?
C7 C2 C1 120.0(8) . . ?
C2 C3 C4 119.5(7) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 120.9(8) . . ?
C3 C4 C9 117.6(7) . . ?
C5 C4 C9 121.5(7) . . ?
C6 C5 C4 118.9(8) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C7 C6 C5 120.7(8) . . ?
C7 C6 C8 118.7(8) . . ?
C5 C6 C8 120.6(8) . . ?
C6 C7 C2 119.8(8) . . ?
C6 C7 H7 120.1 . . ?
C2 C7 H7 120.1 . . ?
O4 C8 O3 125.5(7) . . ?
O4 C8 C6 117.6(7) . . ?
O3 C8 C6 116.8(7) . . ?
O6 C9 O5 126.2(8) . . ?
O6 C9 C4 119.3(7) . . ?
O5 C9 C4 114.5(7) . . ?
O9 C10 O8 126.7(7) . . ?
O9 C10 C11 116.0(6) . . ?
O8 C10 C11 117.3(7) . . ?
C12 C11 C16 119.6(7) . . ?
C12 C11 C10 118.0(7) . . ?
C16 C11 C10 122.4(7) . . ?
C13 C12 C11 120.9(7) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C14 C13 C12 119.7(7) . . ?
C14 C13 C18 122.0(7) . . ?
C12 C13 C18 118.3(7) . . ?
C13 C14 C15 120.0(7) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.0(7) . . ?
C16 C15 C17 119.4(7) . 6_565 ?
C14 C15 C17 120.5(7) . 6_565 ?
C15 C16 C11 119.6(7) . . ?
C15 C16 H16 120.2 . . ?
C11 C16 H16 120.2 . . ?
O11 C17 O10 127.7(8) . . ?
O11 C17 C15 117.4(7) . 6_566 ?
O10 C17 C15 114.9(7) . 6_566 ?
O12 C18 O13 127.0(7) . . ?
O12 C18 C13 117.0(7) . . ?
O13 C18 C13 116.0(6) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.988
_refine_diff_density_min         -1.011
_refine_diff_density_rms         0.172

# start Validation Reply Form
_vrf_PLAT241_MINOF-1             
;
RESPONSE: We have tried to apply several restraints but this 
did not make any change in the refinement. 
;
_vrf_PLAT213_MINOF-1             
;
RESPONSE: We have tried to apply several restraints but this 
did not make any change in the refinement. 
;
_vrf_PLAT220_MINOF-1             
;
RESPONSE: This is due to the disorder of guest water O atoms.
We have applied several restraints but the 
disorder could not be eliminated. 
;
_vrf_PLAT306_MINOF-1             
;
RESPONSE: The H atoms of lattice water molecules could not be
located. 
;
_vrf_PLAT601_MINOF-1             
;
RESPONSE: We have located 6 water lattice solvents in accordance to
the results of thermal and elemental analyses. This is a microporous structure
and is expected to have some voids. 
;
_vrf_CHEMW03_MINOF-1             
;
RESPONSE: The reported formula, molecular weight, F000, density etc include 
the contribution of 16 H atoms of coordinating and lattice water solvents, 
which could not located.
;
_vrf_FORMU01_MINOF-1             
;
RESPONSE:The reported formula, molecular weight, F000, density etc include 
the contribution of 16 H atoms of coordinating and lattice water solvents, 
which could not located.
;
_vrf_CELLZ01_MINOF-1             
;
RESPONSE:The reported formula, molecular weight, F000, density etc include 
the contribution of 16 H atoms of coordinating and lattice water solvents, 
which could not located.
;
_vrf_PLAT043_MINOF-1             
;
RESPONSE: The reported formula, molecular weight, F000, density etc include 
the contribution of 16 H atoms of coordinating and lattice water solvents, 
which could not located.
;
_vrf_PLAT041_MINOF-1             
;
RESPONSE: The reported formula, molecular weight, F000, density etc include 
the contribution of 16 H atoms of coordinating and lattice water solvents, 
which could not located.
;
_vrf_PLAT068_MINOF-1             
;
RESPONSE: The reported formula, molecular weight, F000, density etc include 
the contribution of 16 H atoms of coordinating and lattice water solvents, 
which could not located.
;
# end Validation Reply Form  
_database_code_depnum_ccdc_archive 'CCDC 968879'

data_MINOF-1'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H6 Cu4 O15 Se'
_chemical_formula_sum            'C18 H6 Cu4 O15 Se'
_chemical_formula_weight         795.39

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

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'

_cell_length_a                   38.391(6)
_cell_length_b                   12.3697(11)
_cell_length_c                   14.1757(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.165(10)
_cell_angle_gamma                90.00
_cell_volume                     6731.8(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    473(2)
_cell_measurement_reflns_used    7043
_cell_measurement_theta_min      2.12
_cell_measurement_theta_max      32.13

_exptl_crystal_description       plate
_exptl_crystal_colour            'dark blue'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3072
_exptl_absorpt_coefficient_mu    3.628
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.3383
_exptl_absorpt_correction_T_max  0.7085
_exptl_absorpt_process_details   X-Shape2

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      473(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26274
_diffrn_reflns_av_R_equivalents  0.2794
_diffrn_reflns_av_sigmaI/netI    0.2236
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5938
_reflns_number_gt                2555
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       X-AREA
_computing_data_reduction        X-AREA
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'
_publ_section_references         
;
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C.,
Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435--436.

Farrugia, L. J. (1997). ORTEP-3 for Windows. J.Appl. Cryst.
30, 565.

Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837--838.

Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford
Diffraction Ltd, Abingdon, Oxford, England.

Sheldrick, G. M. (1997). SHELXL97. University of Göttingen, Germany.

Spek, A. L. (2008). PLATON. University of Utrecht, The Netherlands.
;

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1340P)²+0.0000P] 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         5938
_refine_ls_number_parameters     343
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.2490
_refine_ls_R_factor_gt           0.1312
_refine_ls_wR_factor_ref         0.3382
_refine_ls_wR_factor_gt          0.2912
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.070
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se 0.02364(7) 0.05108(17) 0.14787(13) 0.0500(7) Uani 1 1 d . . .
Cu1 Cu 0.22393(9) 0.3107(2) -0.00833(19) 0.0690(10) Uani 1 1 d . . .
Cu2 Cu 0.05692(8) 0.0045(2) -0.06178(16) 0.0541(8) Uani 1 1 d . . .
Cu3 Cu 0.04228(10) 0.2412(2) 0.05900(15) 0.0749(12) Uani 1 1 d . . .
Cu4 Cu 0.04824(9) 0.2238(2) 0.30615(15) 0.0637(10) Uani 1 1 d . . .
O1 O 0.2028(6) 0.2380(15) 0.0922(11) 0.090(6) Uani 1 1 d . . .
O2 O 0.2492(6) 0.3696(15) -0.1163(12) 0.094(6) Uani 1 1 d . . .
O3 O 0.2520(6) 0.0958(17) -0.0769(13) 0.097(6) Uani 1 1 d . . .
O4 O 0.2070(6) 0.2009(15) -0.0845(13) 0.088(6) Uani 1 1 d . . .
O5 O 0.1022(5) -0.0302(16) -0.1042(13) 0.096(6) Uani 1 1 d . . .
O6 O 0.0972(6) -0.1602(17) -0.2086(13) 0.108(7) Uani 1 1 d . . .
O8 O 0.0486(7) 0.2869(13) -0.0651(10) 0.107(8) Uani 1 1 d . . .
O9 O 0.0563(6) 0.1282(12) -0.1430(9) 0.090(7) Uani 1 1 d . . .
O10 O 0.0468(7) 0.3786(11) 0.1020(10) 0.121(10) Uani 1 1 d . . .
O11 O 0.0443(5) 0.3767(11) 0.2607(8) 0.078(6) Uani 1 1 d . . .
O12 O 0.0489(6) 0.2705(12) -0.5657(9) 0.085(6) Uani 1 1 d . . .
O13 O 0.0539(4) 0.1190(11) -0.4782(9) 0.057(4) Uani 1 1 d . . .
O15 O 0.0300(4) 0.0905(10) 0.0323(7) 0.051(4) Uani 1 1 d . . .
O16 O 0.0352(5) 0.1782(11) 0.1816(8) 0.077(6) Uani 1 1 d . . .
O17 O -0.0169(5) 0.0642(10) 0.1551(8) 0.064(5) Uani 1 1 d . . .
C1 C 0.2193(8) -0.168(2) -0.3648(16) 0.060(6) Uani 1 1 d . . .
C2 C 0.2030(8) -0.112(2) -0.2833(16) 0.073(8) Uani 1 1 d . . .
C3 C 0.1690(8) -0.128(2) -0.2640(17) 0.074(8) Uani 1 1 d . . .
H3 H 0.1569 -0.1780 -0.3000 0.089 Uiso 1 1 calc R . .
C4 C 0.1512(7) -0.0732(18) -0.1938(16) 0.064(7) Uani 1 1 d . . .
C5 C 0.1697(9) 0.014(3) -0.1457(18) 0.097(10) Uani 1 1 d . . .
H5 H 0.1578 0.0586 -0.1043 0.116 Uiso 1 1 calc R . .
C6 C 0.2038(9) 0.0287(18) -0.1606(16) 0.075(8) Uani 1 1 d . . .
C7 C 0.2200(8) -0.031(2) -0.2326(16) 0.080(8) Uani 1 1 d . . .
H7 H 0.2431 -0.0153 -0.2472 0.096 Uiso 1 1 calc R . .
C8 C 0.2196(9) 0.113(3) -0.1046(19) 0.087(10) Uani 1 1 d . . .
C9 C 0.1119(8) -0.093(2) -0.1677(19) 0.072(7) Uani 1 1 d U . .
C10 C 0.0525(9) 0.228(2) -0.1363(15) 0.083(9) Uani 1 1 d . . .
C11 C 0.0506(7) 0.2896(17) -0.2294(12) 0.061(7) Uani 1 1 d . . .
C12 C 0.0530(7) 0.2346(18) -0.3146(15) 0.072(8) Uani 1 1 d . . .
H12 H 0.0562 0.1601 -0.3133 0.087 Uiso 1 1 calc R . .
C13 C 0.0509(7) 0.2829(17) -0.3970(11) 0.059(7) Uani 1 1 d . . .
C14 C 0.0491(7) 0.3988(19) -0.4006(14) 0.074(8) Uani 1 1 d . . .
H14 H 0.0495 0.4351 -0.4580 0.089 Uiso 1 1 calc R . .
C15 C 0.0467(7) 0.4551(17) -0.3163(13) 0.067(8) Uani 1 1 d . . .
C16 C 0.0497(7) 0.3988(16) -0.2330(13) 0.061(7) Uani 1 1 d . . .
H16 H 0.0511 0.4375 -0.1769 0.073 Uiso 1 1 calc R . .
C17 C 0.0452(7) 0.4228(19) 0.1803(17) 0.066(6) Uani 1 1 d U . .
C18 C 0.0522(7) 0.220(3) -0.4881(14) 0.079(8) 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
Se1 O17 1.567(19) . ?
Se1 O16 1.702(14) . ?
Se1 O15 1.727(11) . ?
Se1 Cu3 2.763(3) . ?
Cu1 O4 1.85(2) . ?
Cu1 O1 1.871(17) . ?
Cu1 O3 1.91(2) 7 ?
Cu1 O2 1.955(17) . ?
Cu1 Cu1 2.514(7) 7 ?
Cu2 O5 1.891(19) . ?
Cu2 O9 1.914(14) . ?
Cu2 O13 1.936(13) 6_556 ?
Cu2 O15 1.997(13) . ?
Cu2 O17 2.197(15) 5 ?
Cu3 O10 1.814(14) . ?
Cu3 O8 1.865(14) . ?
Cu3 O16 1.924(12) . ?
Cu3 O15 1.960(12) . ?
Cu4 O12 1.907(13) 1_556 ?
Cu4 O16 1.919(12) . ?
Cu4 O11 2.003(13) . ?
Cu4 O6 2.05(2) 6_556 ?
Cu4 O17 2.378(17) 2 ?
O1 C1 1.23(3) 6_556 ?
O2 C1 1.32(3) 4_554 ?
O3 C8 1.32(3) . ?
O3 Cu1 1.91(2) 7 ?
O4 C8 1.22(4) . ?
O5 C9 1.25(3) . ?
O6 C9 1.16(3) . ?
O6 Cu4 2.05(2) 6 ?
O8 C10 1.26(3) . ?
O9 C10 1.24(3) . ?
O10 C17 1.24(3) . ?
O11 C17 1.28(2) . ?
O12 C18 1.27(3) . ?
O12 Cu4 1.907(13) 1_554 ?
O13 C18 1.26(3) . ?
O13 Cu2 1.936(13) 6 ?
O17 Cu2 2.197(15) 5 ?
O17 Cu4 2.378(17) 2 ?
C1 O1 1.23(3) 6 ?
C1 O2 1.32(3) 4_544 ?
C1 C2 1.49(3) . ?
C2 C3 1.35(4) . ?
C2 C7 1.40(3) . ?
C3 C4 1.38(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.46(3) . ?
C4 C9 1.57(4) . ?
C5 C6 1.34(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.40(3) . ?
C6 C8 1.44(4) . ?
C7 H7 0.9300 . ?
C10 C11 1.53(3) . ?
C11 C16 1.35(3) . ?
C11 C12 1.39(3) . ?
C12 C13 1.31(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.44(3) . ?
C13 C18 1.51(3) . ?
C14 C15 1.39(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.38(3) . ?
C15 C17 1.51(3) 6_565 ?
C16 H16 0.9300 . ?
C17 C15 1.51(3) 6_566 ?

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
O17 Se1 O16 98.3(8) . . ?
O17 Se1 O15 100.1(7) . . ?
O16 Se1 O15 88.2(6) . . ?
O17 Se1 Cu3 101.5(5) . . ?
O16 Se1 Cu3 43.4(4) . . ?
O15 Se1 Cu3 44.8(4) . . ?
O4 Cu1 O1 86.5(8) . . ?
O4 Cu1 O3 169.0(10) . 7 ?
O1 Cu1 O3 91.1(8) . 7 ?
O4 Cu1 O2 89.5(8) . . ?
O1 Cu1 O2 172.7(8) . . ?
O3 Cu1 O2 91.7(8) 7 . ?
O4 Cu1 Cu1 83.9(7) . 7 ?
O1 Cu1 Cu1 89.3(7) . 7 ?
O3 Cu1 Cu1 85.3(8) 7 7 ?
O2 Cu1 Cu1 84.2(7) . 7 ?
O5 Cu2 O9 90.0(9) . . ?
O5 Cu2 O13 94.1(8) . 6_556 ?
O9 Cu2 O13 175.8(8) . 6_556 ?
O5 Cu2 O15 144.3(7) . . ?
O9 Cu2 O15 88.3(5) . . ?
O13 Cu2 O15 88.8(5) 6_556 . ?
O5 Cu2 O17 111.3(7) . 5 ?
O9 Cu2 O17 86.5(7) . 5 ?
O13 Cu2 O17 91.2(6) 6_556 5 ?
O15 Cu2 O17 104.2(7) . 5 ?
O10 Cu3 O8 91.2(7) . . ?
O10 Cu3 O16 95.1(6) . . ?
O8 Cu3 O16 173.7(6) . . ?
O10 Cu3 O15 168.2(8) . . ?
O8 Cu3 O15 98.0(6) . . ?
O16 Cu3 O15 75.8(5) . . ?
O10 Cu3 Se1 132.0(5) . . ?
O8 Cu3 Se1 136.3(5) . . ?
O16 Cu3 Se1 37.5(4) . . ?
O15 Cu3 Se1 38.4(3) . . ?
O12 Cu4 O16 165.6(9) 1_556 . ?
O12 Cu4 O11 91.2(6) 1_556 . ?
O16 Cu4 O11 87.9(6) . . ?
O12 Cu4 O6 101.8(9) 1_556 6_556 ?
O16 Cu4 O6 91.7(8) . 6_556 ?
O11 Cu4 O6 113.4(8) . 6_556 ?
O12 Cu4 O17 92.1(6) 1_556 2 ?
O16 Cu4 O17 80.7(5) . 2 ?
O11 Cu4 O17 145.1(7) . 2 ?
O6 Cu4 O17 99.8(7) 6_556 2 ?
C1 O1 Cu1 119.6(18) 6_556 . ?
C1 O2 Cu1 119.0(16) 4_554 . ?
C8 O3 Cu1 123(2) . 7 ?
C8 O4 Cu1 130(2) . . ?
C9 O5 Cu2 130(2) . . ?
C9 O6 Cu4 132(2) . 6 ?
C10 O8 Cu3 126.6(16) . . ?
C10 O9 Cu2 138.3(14) . . ?
C17 O10 Cu3 135.2(15) . . ?
C17 O11 Cu4 135.0(14) . . ?
C18 O12 Cu4 132.4(17) . 1_554 ?
C18 O13 Cu2 135.9(13) . 6 ?
Se1 O15 Cu3 96.9(5) . . ?
Se1 O15 Cu2 123.9(7) . . ?
Cu3 O15 Cu2 120.7(7) . . ?
Se1 O16 Cu4 126.6(7) . . ?
Se1 O16 Cu3 99.1(6) . . ?
Cu4 O16 Cu3 132.5(8) . . ?
Se1 O17 Cu2 127.9(8) . 5 ?
Se1 O17 Cu4 127.2(7) . 2 ?
Cu2 O17 Cu4 96.1(7) 5 2 ?
O1 C1 O2 128(2) 6 4_544 ?
O1 C1 C2 120(3) 6 . ?
O2 C1 C2 112(2) 4_544 . ?
C3 C2 C7 117(2) . . ?
C3 C2 C1 120(3) . . ?
C7 C2 C1 122(3) . . ?
C2 C3 C4 124(3) . . ?
C2 C3 H3 118.1 . . ?
C4 C3 H3 118.1 . . ?
C3 C4 C5 117(3) . . ?
C3 C4 C9 125(2) . . ?
C5 C4 C9 118(2) . . ?
C6 C5 C4 120(2) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C7 118(2) . . ?
C5 C6 C8 115(3) . . ?
C7 C6 C8 126(3) . . ?
C2 C7 C6 123(3) . . ?
C2 C7 H7 118.6 . . ?
C6 C7 H7 118.6 . . ?
O4 C8 O3 117(3) . . ?
O4 C8 C6 127(3) . . ?
O3 C8 C6 116(4) . . ?
O6 C9 O5 132(3) . . ?
O6 C9 C4 117(3) . . ?
O5 C9 C4 111(2) . . ?
O9 C10 O8 131(2) . . ?
O9 C10 C11 115.9(19) . . ?
O8 C10 C11 113(2) . . ?
C16 C11 C12 117.3(18) . . ?
C16 C11 C10 122.4(18) . . ?
C12 C11 C10 120(2) . . ?
C13 C12 C11 123(2) . . ?
C13 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
C12 C13 C14 119.2(18) . . ?
C12 C13 C18 122(2) . . ?
C14 C13 C18 119.1(18) . . ?
C15 C14 C13 118.3(19) . . ?
C15 C14 H14 120.8 . . ?
C13 C14 H14 120.8 . . ?
C16 C15 C14 119(2) . . ?
C16 C15 C17 122.4(18) . 6_565 ?
C14 C15 C17 118.5(19) . 6_565 ?
C11 C16 C15 122.7(18) . . ?
C11 C16 H16 118.7 . . ?
C15 C16 H16 118.7 . . ?
O10 C17 O11 127(2) . . ?
O10 C17 C15 117.9(19) . 6_566 ?
O11 C17 C15 115(2) . 6_566 ?
O13 C18 O12 126(2) . . ?
O13 C18 C13 114.8(18) . . ?
O12 C18 C13 119(3) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.145
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.196

# start Validation Reply Form
_vrf_PLAT241_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure. 
;
_vrf_PLAT602_MINOF-1'            
;
RESPONSE: This is the desolvated structure
and it is expected to display large voids. 
;
_vrf_PLAT213_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure. 
;
_vrf_PLAT220_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure.  
;
_vrf_RINTA01_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
due the partial loss of crystallinity for the desolvated
structure.  
;
_vrf_PLAT020_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
due the partial loss of crystallinity for the desolvated
structure.    
;
_vrf_PLAT026_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
due the partial loss of crystallinity for the desolvated
structure.    
;
_vrf_PLAT239_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure.   
;
_vrf_PLAT234_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure.   
;
_vrf_RFACG01_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
due the partial loss of crystallinity for the desolvated
structure.  
;
_vrf_RFACR01_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
due the partial loss of crystallinity for the desolvated
structure.  
;
_vrf_PLAT082_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
due the partial loss of crystallinity for the desolvated
structure.  
;
_vrf_PLAT084_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
due the partial loss of crystallinity for the desolvated
structure.  
;
_vrf_PLAT242_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure. 
;
_vrf_PLAT250_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure. 
;
_vrf_PLAT366_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure. 
;
_vrf_PLAT369_MINOF-1'            
;
RESPONSE: This is due to the poor diffraction of the crystal
and the high disorder of the desolvated structure. 
;
# end Validation Reply Form  
_database_code_depnum_ccdc_archive 'CCDC 968880'
