data_1
_audit_creation_date               2018-08-02
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           '0.5(C216 N12 O32 Zr6)'
_chemical_formula_sum              'C108 N6 O16 Zr3'
_chemical_formula_weight           1910.80
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Zr' 'Zr' -0.1862 2.2449
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system        'cubic'
_space_group_IT_number             221
_space_group_name_H-M_alt          'P m -3 m'
_space_group_name_Hall             '-P 4 2 3'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, z'
 '-x, y, -z'
 'x, -y, -z'
 'z, x, y'
 'z, -x, -y'
 '-z, -x, y'
 '-z, x, -y'
 'y, z, x'
 '-y, z, -x'
 'y, -z, -x'
 '-y, -z, x'
 'y, x, -z'
 '-y, -x, -z'
 'y, -x, z'
 '-y, x, z'
 'x, z, -y'
 '-x, z, y'
 '-x, -z, -y'
 'x, -z, y'
 'z, y, -x'
 'z, -y, x'
 '-z, y, x'
 '-z, -y, -x'
 '-x, -y, -z'
 'x, y, -z'
 'x, -y, z'
 '-x, y, z'
 '-z, -x, -y'
 '-z, x, y'
 'z, x, -y'
 'z, -x, y'
 '-y, -z, -x'
 'y, -z, x'
 '-y, z, x'
 'y, z, -x'
 '-y, -x, z'
 'y, x, z'
 '-y, x, -z'
 'y, -x, -z'
 '-x, -z, y'
 'x, -z, -y'
 'x, z, y'
 '-x, z, -y'
 '-z, -y, x'
 '-z, y, -x'
 'z, -y, -x'
 'z, y, x'

_cell_length_a                     25.4167(2)
_cell_length_b                     25.4167(2)
_cell_length_c                     25.4167(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       16419.4(4)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9823
_cell_measurement_temperature      296(2)
_cell_measurement_theta_max        60.11
_cell_measurement_theta_min        2.46
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.932
_exptl_absorpt_correction_T_max    0.7518
_exptl_absorpt_correction_T_min    0.4330
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1290 before and 0.0446 after correction.
The Ratio of minimum to maximum transmission is 0.5760.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'dark red'
_exptl_crystal_density_diffrn      0.386
_exptl_crystal_density_meas        .
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1876
_exptl_crystal_size_max            ?
_exptl_crystal_size_mid            ?
_exptl_crystal_size_min            ?
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0307
_diffrn_reflns_av_unetI/netI       0.0148
_diffrn_reflns_Laue_measured_fraction_full  0.895
_diffrn_reflns_Laue_measured_fraction_max  0.895
_diffrn_reflns_limit_h_max         26
_diffrn_reflns_limit_h_min         -23
_diffrn_reflns_limit_k_max         26
_diffrn_reflns_limit_k_min         -17
_diffrn_reflns_limit_l_max         24
_diffrn_reflns_limit_l_min         -24
_diffrn_reflns_number              45465
_diffrn_reflns_point_group_measured_fraction_full  0.895
_diffrn_reflns_point_group_measured_fraction_max  0.895
_diffrn_reflns_theta_full          58.899
_diffrn_reflns_theta_max           58.899
_diffrn_reflns_theta_min           1.738
_diffrn_ambient_temperature        296.15
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.895
_diffrn_measured_fraction_theta_max  0.895
_diffrn_measurement_device_type    'CCD area detector'
_diffrn_measurement_method         'phi and omega scans'
_diffrn_radiation_monochromator    'graphite'
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  1811
_reflns_number_total               2115
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'XT (Sheldrick, 2015)'
_refine_diff_density_max           0.580
_refine_diff_density_min           -0.800
_refine_diff_density_rms           0.081
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.189
_refine_ls_hydrogen_treatment      undef
_refine_ls_matrix_type             full
_refine_ls_number_parameters       59
_refine_ls_number_reflns           2115
_refine_ls_number_restraints       81
_refine_ls_R_factor_all            0.0843
_refine_ls_R_factor_gt             0.0786
_refine_ls_restrained_S_all        1.319
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.1600P)²+13.5765P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2450
_refine_ls_wR_factor_ref           0.2526
_refine_special_details            ?
_olex2_refinement_description
;
1. Restrained distances
 C3_$3-C3 \\sim C4_$3-C4 \\sim C3_$2-C3_$1 \\sim C4_$2-C4_$1
 with sigma of 0.02
 C7_$2-C7_$3 \\sim C7_$1-C7 \\sim C8_$3-C8_$2 \\sim C8-C8_$1
 with sigma of 0.02
 C7_$2-C7_$1 \\sim C8-C8_$3 \\sim C7_$3-C7 \\sim C8_$1-C8_$2
 with sigma of 0.02
 C6-C7_$1 \\sim C9-C8_$3
 with sigma of 0.02
2. Restrained planarity
 C7_$1, C7_$2, C8, C8_$3
 with sigma of 0.1
 C7, C7_$3, C8_$1, C8_$2
 with sigma of 0.1
3. Uiso/Uaniso restraints and constraints
C6 \\sim C7: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C8 \\sim C9: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C9) \\sim
Ueq, Uanis(C10) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C11) \\sim Ueq,
Uanis(N1) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.2
Uanis(C8) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.1
Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(N1)
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.05
Uanis(C2) = Uanis(C3) = Uanis(C4) = Uanis(C5)
Uanis(C6) = Uanis(C7) = Uanis(C8) = Uanis(C9)
4. Others
 Fixed Sof: C7(0.5) C8(0.5) C3(0.5) C4(0.5)
;
_atom_sites_solution_hydrogens     .
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
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
 Zr1 Zr 0.40264(3) 0.500000 0.500000 0.0218(5) Uani 1 8 d S T P . .
 O1 O 0.35947(14) 0.500000 0.42323(15) 0.0445(10) Uani 1 2 d S T P . .
 O2 O 0.4518(2) 0.4518(2) 0.5482(2) 0.073(3) Uani 1 6 d S T P . .
 C1 C 0.3756(2) 0.500000 0.3756(2) 0.046(2) Uani 1 4 d S T P B .
 C2 C 0.3343(3) 0.500000 0.3343(3) 0.090(2) Uani 1 4 d S T P . .
 C5 C 0.2566(3) 0.500000 0.2566(3) 0.090(2) Uani 1 4 d S T P . .
 C6 C 0.2150(4) 0.500000 0.2150(4) 0.143(3) Uani 1 4 d DS TU P . .
 C7 C 0.2132(4) 0.5423(5) 0.1780(4) 0.143(3) Uani 0.5 1 d D U . . .
 C8 C 0.1738(4) 0.5422(5) 0.1386(4) 0.143(3) Uani 0.5 1 d D U . . .
 C9 C 0.1382(4) 0.500000 0.1382(4) 0.143(3) Uani 1 4 d DS TU P . .
 N1 N 0.0801(4) 0.500000 0.000000 0.142(5) Uani 1 4 d S TU P A 1
 C10 C 0.0957(3) 0.500000 0.0957(3) 0.131(5) Uani 1 4 d S TU P A 1
 C11 C 0.1114(3) 0.500000 0.0429(3) 0.149(5) Uani 1 2 d S TU P A 1
 C12 C 0.1661(4) 0.500000 0.0281(4) 0.167(5) Uani 1 2 d S TU P A 1
 C3 C 0.2830(3) 0.4836(4) 0.3482(3) 0.090(2) Uani 0.5 1 d D . . B 2
 C4 C 0.2434(3) 0.4831(4) 0.3095(3) 0.090(2) Uani 0.5 1 d D . . B 2


_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
 Zr1 Zr1 3.4994(10) 33_666 ?
 Zr1 Zr1 3.4994(10) 9 ?
 Zr1 Zr1 3.4994(10) 29_666 ?
 Zr1 Zr1 3.4994(10) 5 ?
 Zr1 O1 2.239(4) 17_556 ?
 Zr1 O1 2.239(4) 26_556 ?
 Zr1 O1 2.239(4) 42_566 ?
 Zr1 O1 2.239(4) . ?
 Zr1 O2 2.136(3) . ?
 Zr1 O2 2.136(3) 4_566 ?
 Zr1 O2 2.136(3) 26_556 ?
 Zr1 O2 2.136(3) 27_565 ?
 O1 C1 1.278(5) . ?
 C1 C2 1.484(12) . ?
 C2 C3 1.415(10) . ?
 C2 C3 1.415(10) 22_565 ?
 C2 C3 1.415(10) 48 ?
 C2 C3 1.415(10) 27_565 ?
 C5 C6 1.494(16) . ?
 C5 C4 1.451(10) 48 ?
 C5 C4 1.451(10) 22_565 ?
 C5 C4 1.451(10) 27_565 ?
 C5 C4 1.451(10) . ?
 C6 C7 1.429(12) 27_565 ?
 C6 C7 1.429(12) . ?
 C6 C7 1.429(12) 48 ?
 C6 C7 1.429(12) 22_565 ?
 C7 C7 1.26(2) 48 ?
 C7 C8 1.417(16) . ?
 C7 C8 1.899(17) 48 ?
 C8 C8 1.26(2) 48 ?
 C8 C9 1.405(11) . ?
 C9 C10 1.528(17) . ?
 N1 C11 1.350(10) 26 ?
 N1 C11 1.350(10) . ?
 C10 C11 1.399(10) . ?
 C10 C11 1.399(10) 22_565 ?
 C11 C12 1.440(13) . ?
 C12 C12 1.43(2) 26 ?
 C3 C3 0.835(19) 27_565 ?
 C3 C4 1.643(13) 27_565 ?
 C3 C4 1.408(11) . ?
 C4 C4 0.860(19) 27_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
 Zr1 Zr1 Zr1 60.0 5 9 ?
 Zr1 Zr1 Zr1 90.0 29_666 5 ?
 Zr1 Zr1 Zr1 60.0 33_666 5 ?
 Zr1 Zr1 Zr1 60.0 33_666 29_666 ?
 Zr1 Zr1 Zr1 60.0 29_666 9 ?
 Zr1 Zr1 Zr1 90.0 33_666 9 ?
 O1 Zr1 Zr1 110.28(7) 26_556 29_666 ?
 O1 Zr1 Zr1 164.35(10) 17_556 29_666 ?
 O1 Zr1 Zr1 74.35(10) 42_566 29_666 ?
 O1 Zr1 Zr1 110.28(7) . 29_666 ?
 O1 Zr1 Zr1 110.28(6) 42_566 9 ?
 O1 Zr1 Zr1 110.28(6) 42_566 33_666 ?
 O1 Zr1 Zr1 164.35(10) . 33_666 ?
 O1 Zr1 Zr1 74.35(10) . 9 ?
 O1 Zr1 Zr1 110.28(6) 17_556 9 ?
 O1 Zr1 Zr1 74.35(10) 26_556 33_666 ?
 O1 Zr1 Zr1 164.35(10) 26_556 9 ?
 O1 Zr1 Zr1 110.28(6) 26_556 5 ?
 O1 Zr1 Zr1 110.28(6) . 5 ?
 O1 Zr1 Zr1 74.35(10) 17_556 5 ?
 O1 Zr1 Zr1 164.35(10) 42_566 5 ?
 O1 Zr1 Zr1 110.28(6) 17_556 33_666 ?
 O1 Zr1 O1 76.10(9) 17_556 . ?
 O1 Zr1 O1 76.10(9) 42_566 26_556 ?
 O1 Zr1 O1 76.10(9) 17_556 26_556 ?
 O1 Zr1 O1 76.10(9) 42_566 . ?
 O1 Zr1 O1 121.3(2) 26_556 . ?
 O1 Zr1 O1 121.3(2) 17_556 42_566 ?
 O2 Zr1 Zr1 89.6(2) 26_556 33_666 ?
 O2 Zr1 Zr1 89.6(2) 4_566 33_666 ?
 O2 Zr1 Zr1 35.02(12) 27_565 33_666 ?
 O2 Zr1 Zr1 35.02(12) 26_556 5 ?
 O2 Zr1 Zr1 35.02(12) . 5 ?
 O2 Zr1 Zr1 89.6(2) . 9 ?
 O2 Zr1 Zr1 89.6(2) 4_566 5 ?
 O2 Zr1 Zr1 35.02(12) 4_566 9 ?
 O2 Zr1 Zr1 35.02(12) . 33_666 ?
 O2 Zr1 Zr1 89.6(2) . 29_666 ?
 O2 Zr1 Zr1 89.6(2) 27_565 9 ?
 O2 Zr1 Zr1 35.02(12) 27_565 29_666 ?
 O2 Zr1 Zr1 35.02(12) 26_556 9 ?
 O2 Zr1 Zr1 35.02(12) 4_566 29_666 ?
 O2 Zr1 Zr1 89.6(2) 26_556 29_666 ?
 O2 Zr1 Zr1 89.6(2) 27_565 5 ?
 O2 Zr1 O1 141.87(4) . 42_566 ?
 O2 Zr1 O1 77.7(2) 4_566 . ?
 O2 Zr1 O1 141.87(4) 26_556 26_556 ?
 O2 Zr1 O1 77.7(2) 27_565 42_566 ?
 O2 Zr1 O1 77.7(2) 27_565 26_556 ?
 O2 Zr1 O1 77.7(2) 4_566 42_566 ?
 O2 Zr1 O1 77.7(2) 26_556 17_556 ?
 O2 Zr1 O1 141.87(4) 26_556 42_566 ?
 O2 Zr1 O1 77.7(2) . 26_556 ?
 O2 Zr1 O1 141.87(4) . . ?
 O2 Zr1 O1 141.87(4) 4_566 26_556 ?
 O2 Zr1 O1 141.87(4) 4_566 17_556 ?
 O2 Zr1 O1 77.7(2) . 17_556 ?
 O2 Zr1 O1 77.7(2) 26_556 . ?
 O2 Zr1 O1 141.87(4) 27_565 . ?
 O2 Zr1 O1 141.87(4) 27_565 17_556 ?
 O2 Zr1 O2 70.0(2) . 27_565 ?
 O2 Zr1 O2 108.5(5) 27_565 26_556 ?
 O2 Zr1 O2 70.0(2) . 26_556 ?
 O2 Zr1 O2 108.5(5) . 4_566 ?
 O2 Zr1 O2 70.0(2) 4_566 26_556 ?
 O2 Zr1 O2 70.0(2) 27_565 4_566 ?
 C1 O1 Zr1 132.0(4) . . ?
 Zr1 O2 Zr1 110.0(2) 33_666 5 ?
 Zr1 O2 Zr1 110.0(2) 33_666 . ?
 Zr1 O2 Zr1 110.0(2) 5 . ?
 O1 C1 O1 127.4(7) . 22_565 ?
 O1 C1 C2 116.3(3) 22_565 . ?
 O1 C1 C2 116.3(3) . . ?
 C3 C2 C1 118.4(5) 48 . ?
 C3 C2 C1 118.4(5) 22_565 . ?
 C3 C2 C1 118.4(5) 27_565 . ?
 C3 C2 C1 118.4(5) . . ?
 C3 C2 C3 111.9(9) 48 . ?
 C4 C5 C6 119.4(5) 22_565 . ?
 C4 C5 C6 119.4(5) . . ?
 C4 C5 C6 119.4(5) 27_565 . ?
 C4 C5 C6 119.4(5) 48 . ?
 C4 C5 C4 34.5(8) 27_565 . ?
 C4 C5 C4 110.0(9) 48 . ?
 C4 C5 C4 121.1(10) 22_565 . ?
 C7 C6 C5 119.2(7) 27_565 . ?
 C7 C6 C5 119.2(7) 22_565 . ?
 C7 C6 C5 119.2(7) . . ?
 C7 C6 C5 119.2(7) 48 . ?
 C7 C6 C7 97.6(11) 27_565 . ?
 C7 C6 C7 52.5(9) 27_565 22_565 ?
 C7 C6 C7 97.6(11) 22_565 48 ?
 C7 C6 C7 121.6(14) 22_565 . ?
 C7 C6 C7 121.6(14) 27_565 48 ?
 C7 C6 C7 52.5(9) . 48 ?
 C6 C7 C8 93.9(8) . 48 ?
 C7 C7 C6 63.7(4) 48 . ?
 C7 C7 C8 90.0(3) 48 . ?
 C7 C7 C8 48.3(5) 48 48 ?
 C8 C7 C6 119.1(8) . . ?
 C8 C7 C8 41.7(6) . 48 ?
 C7 C8 C7 41.8(6) . 48 ?
 C8 C8 C7 90.0(3) 48 . ?
 C8 C8 C7 48.3(5) 48 48 ?
 C8 C8 C9 63.2(4) 48 . ?
 C9 C8 C7 92.6(8) . 48 ?
 C9 C8 C7 117.6(8) . . ?
 C8 C9 C8 125.0(14) . 22_565 ?
 C8 C9 C8 125.0(14) 48 27_565 ?
 C8 C9 C8 99.7(11) . 27_565 ?
 C8 C9 C8 53.5(9) 48 . ?
 C8 C9 C8 53.5(9) 22_565 27_565 ?
 C8 C9 C8 99.7(11) 48 22_565 ?
 C8 C9 C10 117.5(7) 48 . ?
 C8 C9 C10 117.5(7) 22_565 . ?
 C8 C9 C10 117.5(7) . . ?
 C8 C9 C10 117.5(7) 27_565 . ?
 C11 N1 C11 107.8(11) 26 . ?
 C11 C10 C9 118.4(6) . . ?
 C11 C10 C9 118.4(6) 22_565 . ?
 C11 C10 C11 123.3(11) . 22_565 ?
 N1 C11 C10 127.3(9) . . ?
 N1 C11 C12 110.8(9) . . ?
 C10 C11 C12 121.9(9) . . ?
 C12 C12 C11 105.2(5) 26 . ?
 C2 C3 C4 105.3(8) . 27_565 ?
 C3 C3 C2 72.8(4) 27_565 . ?
 C3 C3 C4 90.5(3) 27_565 . ?
 C4 C3 C2 119.2(8) . . ?
 C5 C4 C3 105.1(8) . 27_565 ?
 C3 C4 C5 118.7(8) . . ?
 C4 C4 C5 72.8(4) 27_565 . ?
 C4 C4 C3 89.5(3) 27_565 . ?

_smtbx_masks_special_details       ?
loop_
  _smtbx_masks_void_nr
  _smtbx_masks_void_average_x
  _smtbx_masks_void_average_y
  _smtbx_masks_void_average_z
  _smtbx_masks_void_volume
  _smtbx_masks_void_count_electrons
  _smtbx_masks_void_content
 1 -0.725 -0.693 -0.824 12852.1 0.0 ?

_olex2_submission_special_instructions  'No special instructions were received'
