# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_fsbu18
_database_code_depnum_ccdc_archive 'CCDC 1477279'
_audit_update_record             
;
2016-04-29 deposited with the CCDC.
2017-03-08 downloaded from the CCDC.
;

_audit_creation_date             2016-04-21T15:04:21-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'2(C10 H7 Cl N4 O4 Ru), 0.5(C4 H10 O), (C H4 O)'
_chemical_formula_sum            'C23 H23 Cl2 N8 O9.50 Ru2'
_chemical_formula_weight         836.53
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15
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                   16.3947(16)
_cell_length_b                   14.8749(10)
_cell_length_c                   26.532(4)
_cell_angle_alpha                90
_cell_angle_beta                 92.863(13)
_cell_angle_gamma                90
_cell_volume                     6462.3(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    108
_cell_measurement_theta_min      6
_cell_measurement_theta_max      20
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.72
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3320
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2002'
_exptl_absorpt_correction_T_min  0.6281
_exptl_absorpt_correction_T_max  0.7456

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector_area_resol_mean 9
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       
;
 φ- and ω-rotations with 1.00 ° and 120 sec per frame
;
_diffrn_reflns_av_R_equivalents  0.079
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_number            49870
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.74
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_full        27.5
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_reflns_number_total             7427
_reflns_number_gt                5879
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'COLLECT (Bruker-Nonius, 2002)'
_computing_cell_refinement       'EVALCCD (Duisenberg, 2003)'
_computing_data_reduction        'EVALCCD (Duisenberg, 2003)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_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)+(0.0668P)²+170.6325P] 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_number_reflns         7427
_refine_ls_number_parameters     422
_refine_ls_number_restraints     41
_refine_ls_R_factor_all          0.104
_refine_ls_R_factor_gt           0.0786
_refine_ls_wR_factor_ref         0.2252
_refine_ls_wR_factor_gt          0.2055
_refine_ls_goodness_of_fit_ref   1.361
_refine_ls_restrained_S_all      1.358
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.457
_refine_diff_density_min         -1.331
_refine_diff_density_rms         0.291

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
C1 C 0.7028(5) 0.4681(6) 0.9907(3) 0.0149(17) Uani 1 1 d . . .
H1 H 0.7188 0.4876 0.9574 0.018 Uiso 1 1 calc R . .
C2 C 0.7025(5) 0.5513(6) 1.0262(3) 0.0165(17) Uani 1 1 d . . .
C3 C 0.6189(6) 0.2920(7) 1.1161(4) 0.030(2) Uani 1 1 d . . .
C4 C 0.5633(6) 0.4593(6) 1.1342(3) 0.0203(19) Uani 1 1 d . . .
C12 C 0.8083(6) 0.3035(6) 1.0628(4) 0.024(2) Uani 1 1 d . . .
H12 H 0.8157 0.267 1.0911 0.028 Uiso 1 1 calc R . .
C13 C 0.8592(6) 0.3043(6) 1.0219(4) 0.022(2) Uani 1 1 d . . .
H13 H 0.9064 0.2708 1.0183 0.027 Uiso 1 1 calc R . .
C14 C 0.8246(6) 0.3649(6) 0.9885(4) 0.0219(19) Uani 1 1 d . . .
H14 H 0.8431 0.3796 0.9569 0.026 Uiso 1 1 calc R . .
C22 C 0.5082(6) 0.3787(6) 1.0118(4) 0.0210(19) Uani 1 1 d . . .
H22 H 0.4683 0.3576 1.0326 0.025 Uiso 1 1 calc R . .
C23 C 0.4984(6) 0.3883(6) 0.9602(4) 0.024(2) Uani 1 1 d . . .
H23 H 0.4522 0.3743 0.94 0.029 Uiso 1 1 calc R . .
C24 C 0.5706(6) 0.4228(6) 0.9445(3) 0.0185(18) Uani 1 1 d . . .
H24 H 0.5823 0.4376 0.9116 0.022 Uiso 1 1 calc R . .
C31 C 0.7503(6) 0.7302(6) 0.9008(3) 0.0192(18) Uani 1 1 d . . .
H31 H 0.7512 0.7836 0.9225 0.023 Uiso 1 1 calc R . .
C32 C 0.6653(6) 0.6835(6) 0.9035(3) 0.0212(19) Uani 1 1 d . . .
C33 C 0.8238(7) 0.5235(7) 0.7885(4) 0.029(2) Uani 1 1 d . . .
C34 C 0.6575(6) 0.5377(6) 0.7837(4) 0.024(2) Uani 1 1 d . . .
C42 C 0.8929(6) 0.5533(7) 0.9160(4) 0.026(2) Uani 1 1 d . . .
H42 H 0.9159 0.4991 0.9065 0.031 Uiso 1 1 calc R . .
C43 C 0.9194(7) 0.6050(7) 0.9578(4) 0.031(2) Uani 1 1 d . . .
H43 H 0.9624 0.5918 0.9807 0.037 Uiso 1 1 calc R . .
C44 C 0.8697(6) 0.6783(8) 0.9581(4) 0.029(2) Uani 1 1 d . . .
H44 H 0.8718 0.7242 0.9819 0.034 Uiso 1 1 calc R . .
C52 C 0.7625(8) 0.7399(8) 0.7682(4) 0.036(3) Uani 1 1 d . . .
H52 H 0.7636 0.7135 0.7365 0.043 Uiso 1 1 calc R . .
C53 C 0.7698(9) 0.8294(8) 0.7779(4) 0.042(3) Uani 1 1 d . . .
H53 H 0.7747 0.8747 0.7541 0.051 Uiso 1 1 calc R . .
C54 C 0.7686(7) 0.8407(6) 0.8290(4) 0.028(2) Uani 1 1 d . . .
H54 H 0.7727 0.8948 0.8465 0.033 Uiso 1 1 calc R . .
C97A C -0.017(4) 0.725(3) 0.6646(9) 0.078(14) Uani 0.5 1 d PDU A 1
H97A H -0.0231 0.7637 0.6357 0.117 Uiso 0.5 1 calc PR A 1
H97B H -0.0654 0.6882 0.6663 0.117 Uiso 0.5 1 calc PR A 1
H97C H 0.0295 0.687 0.6616 0.117 Uiso 0.5 1 calc PR A 1
C98A C -0.008(3) 0.777(2) 0.7088(10) 0.072(9) Uani 0.5 1 d PDU A 1
H98A H 0.0403 0.8149 0.706 0.087 Uiso 0.5 1 calc PR A 1
H98B H -0.0544 0.8169 0.7105 0.087 Uiso 0.5 1 calc PR A 1
C97B C -0.012(4) 0.757(3) 0.6652(11) 0.091(16) Uani 0.5 1 d PDU A 2
H97D H -0.0213 0.7225 0.6347 0.136 Uiso 0.5 1 calc PR A 2
H97E H 0.0403 0.7859 0.6647 0.136 Uiso 0.5 1 calc PR A 2
H97F H -0.054 0.8009 0.6677 0.136 Uiso 0.5 1 calc PR A 2
C98B C -0.013(3) 0.699(2) 0.7069(11) 0.103(11) Uani 0.5 1 d PDU A 2
H98C H -0.0652 0.6689 0.7062 0.123 Uiso 0.5 1 calc PR A 2
H98D H 0.0285 0.6528 0.7027 0.123 Uiso 0.5 1 calc PR A 2
C100 C 0.4077(10) 0.0430(11) 0.1004(9) 0.085(7) Uani 1 1 d . . .
H10A H 0.3997 0.0587 0.1349 0.128 Uiso 1 1 calc R . .
H10B H 0.4243 -0.0188 0.0986 0.128 Uiso 1 1 calc R . .
H10C H 0.3575 0.0512 0.0807 0.128 Uiso 1 1 calc R . .
Cl1 Cl 0.74196(16) 0.42098(17) 1.16788(9) 0.0295(6) Uani 1 1 d . . .
Cl2 Cl 0.73286(16) 0.41162(15) 0.86366(9) 0.0257(5) Uani 1 1 d . . .
N11 N 0.7486(5) 0.3615(5) 1.0554(3) 0.0207(16) Uani 1 1 d . . .
N12 N 0.7599(5) 0.3987(5) 1.0094(3) 0.0161(15) Uani 1 1 d . . .
N21 N 0.5836(5) 0.4041(5) 1.0278(3) 0.0166(15) Uani 1 1 d . . .
N22 N 0.6213(4) 0.4310(5) 0.9858(3) 0.0175(15) Uani 1 1 d . . .
N41 N 0.8296(5) 0.5937(5) 0.8918(3) 0.0197(16) Uani 1 1 d . . .
N42 N 0.8163(5) 0.6721(5) 0.9173(3) 0.0215(16) Uani 1 1 d . . .
N51 N 0.7534(5) 0.6958(5) 0.8118(3) 0.0198(16) Uani 1 1 d . . .
N52 N 0.7604(5) 0.7587(5) 0.8490(3) 0.0219(17) Uani 1 1 d . . .
O1 O 0.6888(4) 0.5350(4) 1.0721(2) 0.0159(12) Uani 1 1 d . . .
O2 O 0.7151(4) 0.6251(4) 1.0087(3) 0.0249(15) Uani 1 1 d . . .
O3 O 0.5988(6) 0.2228(6) 1.1281(4) 0.053(2) Uani 1 1 d . . .
O4 O 0.5157(5) 0.4891(7) 1.1550(3) 0.045(2) Uani 1 1 d . . .
O31 O 0.6582(4) 0.6055(4) 0.8841(2) 0.0225(14) Uani 1 1 d . . .
O32 O 0.6103(4) 0.7277(5) 0.9216(3) 0.0312(17) Uani 1 1 d . . .
O33 O 0.8746(6) 0.5016(7) 0.7642(3) 0.049(2) Uani 1 1 d . . .
O34 O 0.6038(5) 0.5218(7) 0.7569(3) 0.047(2) Uani 1 1 d . . .
O99 O 0 0.7336(13) 0.75 0.084(5) Uani 1 2 d SD . .
O100 O 0.4665(6) 0.0964(6) 0.0820(5) 0.061(3) Uani 1 1 d . . .
H100 H 0.4467 0.1453 0.074 0.092 Uiso 1 1 calc R . .
Ru1 Ru 0.65027(5) 0.40764(5) 1.09641(3) 0.0177(2) Uani 1 1 d . . .
Ru2 Ru 0.74417(5) 0.56176(5) 0.83211(3) 0.0183(2) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C1 N22 1.445(11) . ?
C1 N12 1.464(11) . ?
C1 C2 1.554(11) . ?
C2 O2 1.213(11) . ?
C2 O1 1.272(10) . ?
C3 O3 1.131(13) . ?
C3 Ru1 1.877(11) . ?
C4 O4 1.074(12) . ?
C4 Ru1 1.941(10) . ?
C12 N11 1.313(12) . ?
C12 C13 1.402(14) . ?
C13 C14 1.368(14) . ?
C14 N12 1.322(12) . ?
C22 N21 1.341(12) . ?
C22 C23 1.379(14) . ?
C23 C24 1.373(14) . ?
C24 N22 1.348(12) . ?
C31 N42 1.436(12) . ?
C31 N52 1.457(11) . ?
C31 C32 1.561(13) . ?
C32 O32 1.232(11) . ?
C32 O31 1.273(11) . ?
C33 O33 1.127(13) . ?
C33 Ru2 1.875(10) . ?
C34 O34 1.128(13) . ?
C34 Ru2 1.901(10) . ?
C42 N41 1.336(12) . ?
C42 C43 1.400(14) . ?
C43 C44 1.362(16) . ?
C44 N42 1.360(13) . ?
C52 N51 1.345(13) . ?
C52 C53 1.360(16) . ?
C53 C54 1.366(15) . ?
C54 N52 1.338(12) . ?
C97A C98A 1.41(3) . ?
C98A O99 1.27(3) . ?
C97B C98B 1.40(4) . ?
C98B O99 1.26(3) . ?
C100 O100 1.359(17) . ?
Cl1 Ru1 2.369(3) . ?
Cl2 Ru2 2.395(2) . ?
N11 N12 1.359(10) . ?
N11 Ru1 2.105(8) . ?
N21 N22 1.360(10) . ?
N21 Ru1 2.077(7) . ?
N41 N42 1.371(11) . ?
N41 Ru2 2.116(8) . ?
N51 N52 1.361(10) . ?
N51 Ru2 2.073(7) . ?
O1 Ru1 2.108(6) . ?
O31 Ru2 2.123(6) . ?
O99 C98B 1.26(3) 2_556 ?
O99 C98A 1.27(3) 2_556 ?

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
N22 C1 N12 109.5(7) . . ?
N22 C1 C2 109.2(7) . . ?
N12 C1 C2 112.2(7) . . ?
O2 C2 O1 125.5(8) . . ?
O2 C2 C1 118.9(8) . . ?
O1 C2 C1 115.6(7) . . ?
O3 C3 Ru1 178.9(10) . . ?
O4 C4 Ru1 178.9(10) . . ?
N11 C12 C13 110.2(8) . . ?
C14 C13 C12 105.3(8) . . ?
N12 C14 C13 107.0(9) . . ?
N21 C22 C23 110.1(9) . . ?
C24 C23 C22 106.3(8) . . ?
N22 C24 C23 107.1(8) . . ?
N42 C31 N52 110.1(7) . . ?
N42 C31 C32 112.2(7) . . ?
N52 C31 C32 108.5(8) . . ?
O32 C32 O31 126.1(9) . . ?
O32 C32 C31 117.0(8) . . ?
O31 C32 C31 116.8(8) . . ?
O33 C33 Ru2 176.5(10) . . ?
O34 C34 Ru2 176.5(9) . . ?
N41 C42 C43 109.6(9) . . ?
C44 C43 C42 106.5(10) . . ?
N42 C44 C43 107.6(10) . . ?
N51 C52 C53 109.1(9) . . ?
C52 C53 C54 107.6(10) . . ?
N52 C54 C53 106.7(9) . . ?
O99 C98A C97A 116(3) . . ?
O99 C98B C97B 117(3) . . ?
C12 N11 N12 105.6(8) . . ?
C12 N11 Ru1 136.1(7) . . ?
N12 N11 Ru1 118.3(6) . . ?
C14 N12 N11 111.8(8) . . ?
C14 N12 C1 129.7(8) . . ?
N11 N12 C1 118.5(7) . . ?
C22 N21 N22 105.9(7) . . ?
C22 N21 Ru1 136.1(6) . . ?
N22 N21 Ru1 118.0(6) . . ?
C24 N22 N21 110.6(7) . . ?
C24 N22 C1 129.6(8) . . ?
N21 N22 C1 119.6(7) . . ?
C42 N41 N42 106.6(8) . . ?
C42 N41 Ru2 136.7(7) . . ?
N42 N41 Ru2 116.4(6) . . ?
C44 N42 N41 109.7(8) . . ?
C44 N42 C31 130.3(9) . . ?
N41 N42 C31 119.8(7) . . ?
C52 N51 N52 106.2(8) . . ?
C52 N51 Ru2 134.9(7) . . ?
N52 N51 Ru2 118.5(6) . . ?
C54 N52 N51 110.2(8) . . ?
C54 N52 C31 131.1(8) . . ?
N51 N52 C31 118.4(7) . . ?
C2 O1 Ru1 122.3(5) . . ?
C32 O31 Ru2 119.5(6) . . ?
C98B O99 C98B 132(3) . 2_556 ?
C98B O99 C98A 173(3) . 2_556 ?
C98B O99 C98A 55(2) 2_556 2_556 ?
C98B O99 C98A 55(2) . . ?
C98B O99 C98A 173(3) 2_556 . ?
C98A O99 C98A 119(3) 2_556 . ?
C3 Ru1 C4 90.0(4) . . ?
C3 Ru1 N21 94.7(4) . . ?
C4 Ru1 N21 95.4(3) . . ?
C3 Ru1 N11 94.2(4) . . ?
C4 Ru1 N11 175.6(4) . . ?
N21 Ru1 N11 85.5(3) . . ?
C3 Ru1 O1 177.5(4) . . ?
C4 Ru1 O1 92.4(3) . . ?
N21 Ru1 O1 84.6(3) . . ?
N11 Ru1 O1 83.4(3) . . ?
C3 Ru1 Cl1 91.5(3) . . ?
C4 Ru1 Cl1 90.4(3) . . ?
N21 Ru1 Cl1 171.5(2) . . ?
N11 Ru1 Cl1 88.3(2) . . ?
O1 Ru1 Cl1 88.97(17) . . ?
C33 Ru2 C34 92.7(4) . . ?
C33 Ru2 N51 93.9(4) . . ?
C34 Ru2 N51 93.8(4) . . ?
C33 Ru2 N41 94.3(4) . . ?
C34 Ru2 N41 173.0(4) . . ?
N51 Ru2 N41 85.7(3) . . ?
C33 Ru2 O31 177.4(4) . . ?
C34 Ru2 O31 89.9(3) . . ?
N51 Ru2 O31 86.2(3) . . ?
N41 Ru2 O31 83.1(3) . . ?
C33 Ru2 Cl2 90.1(3) . . ?
C34 Ru2 Cl2 89.6(3) . . ?
N51 Ru2 Cl2 174.6(2) . . ?
N41 Ru2 Cl2 90.4(2) . . ?
O31 Ru2 Cl2 89.62(19) . . ?

_exptl_crystal_recrystallization_method 'Vapour diffusion'
