Electronic Supplementary Material for CrystEngComm
This Journal is © The Royal Society of Chemistry 2004

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350
_publ_contact_author_name        'Satoshi Takamizawa'
_publ_contact_author_address     
;
Graduate School of Integrated Science
Yokohama City University
22-2 Seto
Kanazawa-ku
Yokohama
Kanagawa
236-0027
JAPAN
;
_publ_contact_author_email       staka@yokohama-cu.ac.jp
_publ_contact_author_phone       +81-45-787-2187
_publ_contact_author_fax         +81-45-787-2187

_publ_section_title              
;
Structural determination of a 1-D metal-organic
framework with adsorbed oxygen molecules at 10K: possibility of surface
motion transfer of confined guest
;
loop_
_publ_author_name
'Satoshi Takamizawa'
'Ei-ichi Nakata'
'Teruo Saito'

data_305111
_database_code_depnum_ccdc_archive 'CCDC 227924'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            'Rhodium(ii) benzoate-pyrazine including O2'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H24 N2 O8.98 Rh2'
_chemical_formula_weight         786.03

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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/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                   17.485(3)
_cell_length_b                   9.5925(14)
_cell_length_c                   19.611(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.219(3)
_cell_angle_gamma                90.00
_cell_volume                     3246.8(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    10
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1567
_exptl_absorpt_coefficient_mu    1.071
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7394
_exptl_absorpt_correction_T_max  0.9584
_exptl_absorpt_process_details   
;
SADABS; Sheldrick, 1996
;

_exptl_special_details           
;
The study was carried out at 10K by sealing the crystal with atmospheric
pressure of O2 gas in a glass capillary.
;

_diffrn_ambient_temperature      10
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11195
_diffrn_reflns_av_R_equivalents  0.0837
_diffrn_reflns_av_sigmaI/netI    0.0978
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.36
_diffrn_reflns_theta_max         28.32
_reflns_number_total             4040
_reflns_number_gt                2620
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0788P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4040
_refine_ls_number_parameters     220
_refine_ls_number_restraints     282
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0633
_refine_ls_wR_factor_ref         0.1564
_refine_ls_wR_factor_gt          0.1394
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_restrained_S_all      0.983
_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
C1 C 0.0617(4) 0.2251(7) 0.3803(3) 0.0171(5) Uani 1 1 d U . .
C2 C 0.1008(4) 0.2217(7) 0.4543(3) 0.0198(6) Uani 1 1 d U . .
C3 C 0.1019(4) 0.0993(7) 0.4925(3) 0.0202(6) Uani 1 1 d U . .
H3 H 0.0759 0.0188 0.4724 0.024 Uiso 1 1 calc R . .
C4 C 0.1407(4) 0.0944(7) 0.5592(4) 0.0211(7) Uani 1 1 d U . .
H4 H 0.1405 0.0111 0.5855 0.025 Uiso 1 1 calc R . .
C5 C 0.1803(4) 0.2121(7) 0.5885(4) 0.0224(7) Uani 1 1 d U . .
H5 H 0.2079 0.2085 0.6343 0.027 Uiso 1 1 calc R . .
C6 C 0.1792(4) 0.3334(7) 0.5506(4) 0.0234(7) Uani 1 1 d U . .
H6 H 0.2064 0.4130 0.5704 0.028 Uiso 1 1 calc R . .
C7 C 0.1383(4) 0.3405(7) 0.4833(4) 0.0225(7) Uani 1 1 d U . .
H7 H 0.1362 0.4251 0.4578 0.027 Uiso 1 1 calc R . .
C8 C 0.1384(3) 0.2288(6) 0.2150(3) 0.0137(5) Uani 1 1 d U . .
C9 C 0.2143(4) 0.2293(6) 0.1897(3) 0.0143(5) Uani 1 1 d U . .
C10 C 0.2549(4) 0.1056(6) 0.1853(3) 0.0146(6) Uani 1 1 d U . .
H10 H 0.2364 0.0212 0.2020 0.017 Uiso 1 1 calc R . .
C11 C 0.3224(4) 0.1057(6) 0.1564(3) 0.0150(6) Uani 1 1 d U . .
H11 H 0.3501 0.0214 0.1532 0.018 Uiso 1 1 calc R . .
C12 C 0.3492(4) 0.2285(6) 0.1323(3) 0.0153(6) Uani 1 1 d U . .
H12 H 0.3943 0.2276 0.1109 0.018 Uiso 1 1 calc R . .
C13 C 0.3109(4) 0.3540(6) 0.1389(3) 0.0153(6) Uani 1 1 d U . .
H13 H 0.3307 0.4387 0.1237 0.018 Uiso 1 1 calc R . .
C14 C 0.2433(4) 0.3542(6) 0.1680(3) 0.0148(6) Uani 1 1 d U . .
H14 H 0.2170 0.4393 0.1731 0.018 Uiso 1 1 calc R . .
C15 C 0.0394(3) -0.1989(6) 0.2089(3) 0.0123(10) Uani 1 1 d U . .
H15 H 0.0683 -0.1506 0.1793 0.015 Uiso 1 1 calc R . .
C16 C 0.0392(3) 0.6559(6) 0.2086(3) 0.0112(10) Uani 1 1 d U . .
H16 H 0.0674 0.6074 0.1784 0.013 Uiso 1 1 calc R . .
N1 N 0.0000 -0.1255(7) 0.2500 0.0123(10) Uani 1 2 d SU . .
N2 N 0.0000 0.5836(7) 0.2500 0.0113(10) Uani 1 2 d SU . .
O1 O 0.0433(3) 0.1089(4) 0.3517(2) 0.0156(6) Uani 1 1 d U . .
O2 O 0.0482(3) 0.3444(4) 0.3513(2) 0.0164(6) Uani 1 1 d U . .
O3 O 0.1090(3) 0.1100(4) 0.2253(2) 0.0134(6) Uani 1 1 d U . .
O4 O 0.1072(3) 0.3457(4) 0.2226(2) 0.0137(6) Uani 1 1 d U . .
O1S O 0.0304(14) 0.592(2) 0.4844(12) 0.034(5) Uani 0.249(10) 1 d PU . .
O2S O 0.0735(13) 0.632(2) 0.5309(12) 0.035(5) Uani 0.249(10) 1 d PU . .
Rh1 Rh 0.0000 0.10251(6) 0.2500 0.00928(19) Uani 1 2 d SU . .
Rh2 Rh 0.0000 0.35229(6) 0.2500 0.01027(19) Uani 1 2 d SU . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0176(7) 0.0166(7) 0.0173(7) -0.0003(6) 0.0036(6) -0.0006(6)
C2 0.0202(7) 0.0196(7) 0.0197(7) -0.0001(6) 0.0034(6) -0.0005(6)
C3 0.0203(8) 0.0200(8) 0.0203(8) -0.0001(6) 0.0032(6) 0.0001(6)
C4 0.0214(9) 0.0210(9) 0.0211(9) -0.0001(7) 0.0034(7) 0.0001(7)
C5 0.0226(9) 0.0225(9) 0.0221(9) -0.0001(7) 0.0032(7) -0.0005(7)
C6 0.0239(9) 0.0232(9) 0.0227(9) -0.0002(7) 0.0031(7) -0.0011(7)
C7 0.0232(8) 0.0222(8) 0.0220(8) 0.0000(6) 0.0032(6) -0.0009(6)
C8 0.0137(7) 0.0136(7) 0.0142(7) 0.0000(6) 0.0030(6) 0.0000(6)
C9 0.0142(7) 0.0142(7) 0.0146(7) 0.0001(6) 0.0024(6) 0.0001(6)
C10 0.0144(8) 0.0144(8) 0.0149(8) -0.0001(6) 0.0024(6) 0.0001(6)
C11 0.0147(8) 0.0151(8) 0.0153(8) -0.0002(7) 0.0021(6) 0.0003(6)
C12 0.0147(8) 0.0157(8) 0.0155(8) -0.0002(7) 0.0024(6) 0.0000(7)
C13 0.0149(8) 0.0154(8) 0.0154(8) 0.0002(7) 0.0024(6) -0.0003(6)
C14 0.0147(8) 0.0148(8) 0.0151(8) 0.0001(6) 0.0025(6) 0.0000(6)
C15 0.0123(12) 0.0121(12) 0.0126(12) 0.0003(7) 0.0020(8) 0.0001(7)
C16 0.0112(12) 0.0111(12) 0.0115(12) 0.0000(7) 0.0021(8) -0.0002(7)
N1 0.0124(12) 0.0121(12) 0.0126(12) 0.000 0.0024(8) 0.000
N2 0.0111(12) 0.0112(12) 0.0115(12) 0.000 0.0020(8) 0.000
O1 0.0167(9) 0.0146(9) 0.0160(9) -0.0001(7) 0.0037(7) -0.0002(7)
O2 0.0173(9) 0.0154(9) 0.0167(9) -0.0004(7) 0.0034(7) -0.0008(7)
O3 0.0134(9) 0.0130(8) 0.0142(9) 0.0000(7) 0.0035(7) 0.0004(7)
O4 0.0135(9) 0.0133(9) 0.0146(9) 0.0000(7) 0.0037(7) 0.0004(7)
O1S 0.034(5) 0.034(5) 0.034(5) 0.0000(9) 0.0058(12) 0.0003(9)
O2S 0.035(5) 0.035(5) 0.035(5) -0.0001(9) 0.0057(12) 0.0004(9)
Rh1 0.0113(4) 0.0041(3) 0.0133(4) 0.000 0.0048(3) 0.000
Rh2 0.0117(4) 0.0048(3) 0.0156(4) 0.000 0.0060(3) 0.000

_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 O1 1.266(7) . ?
C1 O2 1.283(8) . ?
C1 C2 1.501(9) . ?
C2 C7 1.391(9) . ?
C2 C3 1.391(9) . ?
C3 C4 1.375(9) . ?
C4 C5 1.399(9) . ?
C5 C6 1.379(9) . ?
C6 C7 1.398(9) . ?
C8 O4 1.266(7) . ?
C8 O3 1.279(7) . ?
C8 C9 1.490(8) . ?
C9 C10 1.392(8) . ?
C9 C14 1.394(8) . ?
C10 C11 1.389(9) . ?
C11 C12 1.378(8) . ?
C12 C13 1.394(8) . ?
C13 C14 1.392(9) . ?
C15 N1 1.341(7) . ?
C15 C16 1.392(8) 1_545 ?
C16 N2 1.338(7) . ?
C16 C15 1.392(8) 1_565 ?
N1 C15 1.341(7) 2 ?
N1 Rh1 2.187(7) . ?
N2 C16 1.338(7) 2 ?
N2 Rh2 2.219(7) . ?
O1 Rh1 2.018(4) . ?
O2 Rh2 2.032(4) . ?
O3 Rh1 2.041(5) . ?
O4 Rh2 2.032(4) . ?
O1S O2S 1.15(3) . ?
Rh1 O1 2.018(4) 2 ?
Rh1 O3 2.041(5) 2 ?
Rh1 Rh2 2.3960(10) . ?
Rh2 O4 2.032(4) 2 ?
Rh2 O2 2.032(4) 2 ?

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
O1 C1 O2 125.0(6) . . ?
O1 C1 C2 116.9(6) . . ?
O2 C1 C2 118.1(6) . . ?
C7 C2 C3 120.4(6) . . ?
C7 C2 C1 119.3(6) . . ?
C3 C2 C1 120.3(6) . . ?
C4 C3 C2 120.3(6) . . ?
C3 C4 C5 119.9(6) . . ?
C6 C5 C4 119.8(6) . . ?
C5 C6 C7 120.7(6) . . ?
C2 C7 C6 118.8(6) . . ?
O4 C8 O3 125.3(6) . . ?
O4 C8 C9 117.4(5) . . ?
O3 C8 C9 117.2(5) . . ?
C10 C9 C14 120.0(6) . . ?
C10 C9 C8 120.6(6) . . ?
C14 C9 C8 119.4(6) . . ?
C11 C10 C9 120.0(6) . . ?
C12 C11 C10 119.9(6) . . ?
C11 C12 C13 120.7(6) . . ?
C14 C13 C12 119.5(6) . . ?
C13 C14 C9 119.8(6) . . ?
N1 C15 C16 121.8(6) . 1_545 ?
N2 C16 C15 121.1(6) . 1_565 ?
C15 N1 C15 116.6(7) . 2 ?
C15 N1 Rh1 121.7(4) . . ?
C15 N1 Rh1 121.7(4) 2 . ?
C16 N2 C16 117.5(7) . 2 ?
C16 N2 Rh2 121.2(4) . . ?
C16 N2 Rh2 121.2(4) 2 . ?
C1 O1 Rh1 119.6(4) . . ?
C1 O2 Rh2 119.0(4) . . ?
C8 O3 Rh1 118.9(4) . . ?
C8 O4 Rh2 119.5(4) . . ?
O1 Rh1 O1 176.5(2) 2 . ?
O1 Rh1 O3 88.93(18) 2 . ?
O1 Rh1 O3 90.95(18) . . ?
O1 Rh1 O3 90.95(18) 2 2 ?
O1 Rh1 O3 88.93(18) . 2 ?
O3 Rh1 O3 175.9(2) . 2 ?
O1 Rh1 N1 91.74(12) 2 . ?
O1 Rh1 N1 91.74(12) . . ?
O3 Rh1 N1 92.03(11) . . ?
O3 Rh1 N1 92.03(11) 2 . ?
O1 Rh1 Rh2 88.26(12) 2 . ?
O1 Rh1 Rh2 88.26(12) . . ?
O3 Rh1 Rh2 87.97(11) . . ?
O3 Rh1 Rh2 87.97(11) 2 . ?
N1 Rh1 Rh2 180.0 . . ?
O4 Rh2 O4 176.4(2) . 2 ?
O4 Rh2 O2 89.74(17) . 2 ?
O4 Rh2 O2 90.13(18) 2 2 ?
O4 Rh2 O2 90.13(18) . . ?
O4 Rh2 O2 89.74(17) 2 . ?
O2 Rh2 O2 175.8(2) 2 . ?
O4 Rh2 N2 91.79(11) . . ?
O4 Rh2 N2 91.79(11) 2 . ?
O2 Rh2 N2 92.12(12) 2 . ?
O2 Rh2 N2 92.12(12) . . ?
O4 Rh2 Rh1 88.21(11) . . ?
O4 Rh2 Rh1 88.21(11) 2 . ?
O2 Rh2 Rh1 87.88(12) 2 . ?
O2 Rh2 Rh1 87.88(12) . . ?
N2 Rh2 Rh1 180.000(1) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C7 164.9(6) . . . . ?
O2 C1 C2 C7 -16.2(10) . . . . ?
O1 C1 C2 C3 -12.6(10) . . . . ?
O2 C1 C2 C3 166.2(6) . . . . ?
C7 C2 C3 C4 -0.4(11) . . . . ?
C1 C2 C3 C4 177.1(7) . . . . ?
C2 C3 C4 C5 -1.2(11) . . . . ?
C3 C4 C5 C6 1.2(11) . . . . ?
C4 C5 C6 C7 0.5(11) . . . . ?
C3 C2 C7 C6 2.0(11) . . . . ?
C1 C2 C7 C6 -175.5(6) . . . . ?
C5 C6 C7 C2 -2.0(11) . . . . ?
O4 C8 C9 C10 174.9(5) . . . . ?
O3 C8 C9 C10 -7.0(8) . . . . ?
O4 C8 C9 C14 -7.4(8) . . . . ?
O3 C8 C9 C14 170.6(5) . . . . ?
C14 C9 C10 C11 -2.9(9) . . . . ?
C8 C9 C10 C11 174.7(5) . . . . ?
C9 C10 C11 C12 0.1(9) . . . . ?
C10 C11 C12 C13 2.4(9) . . . . ?
C11 C12 C13 C14 -2.3(9) . . . . ?
C12 C13 C14 C9 -0.5(9) . . . . ?
C10 C9 C14 C13 3.1(9) . . . . ?
C8 C9 C14 C13 -174.6(6) . . . . ?
C16 C15 N1 C15 0.3(4) 1_545 . . 2 ?
C16 C15 N1 Rh1 -179.7(4) 1_545 . . . ?
C15 C16 N2 C16 0.3(4) 1_565 . . 2 ?
C15 C16 N2 Rh2 -179.7(4) 1_565 . . . ?
O2 C1 O1 Rh1 7.1(9) . . . . ?
C2 C1 O1 Rh1 -174.1(4) . . . . ?
O1 C1 O2 Rh2 -4.2(9) . . . . ?
C2 C1 O2 Rh2 177.1(4) . . . . ?
O4 C8 O3 Rh1 4.3(8) . . . . ?
C9 C8 O3 Rh1 -173.6(4) . . . . ?
O3 C8 O4 Rh2 -2.4(8) . . . . ?
C9 C8 O4 Rh2 175.5(4) . . . . ?
C1 O1 Rh1 O1 -5.5(5) . . . 2 ?
C1 O1 Rh1 O3 82.5(5) . . . . ?
C1 O1 Rh1 O3 -93.5(5) . . . 2 ?
C1 O1 Rh1 N1 174.5(5) . . . . ?
C1 O1 Rh1 Rh2 -5.5(5) . . . . ?
C8 O3 Rh1 O1 84.9(4) . . . 2 ?
C8 O3 Rh1 O1 -91.6(4) . . . . ?
C8 O3 Rh1 O3 -3.4(4) . . . 2 ?
C8 O3 Rh1 N1 176.6(4) . . . . ?
C8 O3 Rh1 Rh2 -3.4(4) . . . . ?
C15 N1 Rh1 O1 58.4(3) . . . 2 ?
C15 N1 Rh1 O1 -121.6(3) 2 . . 2 ?
C15 N1 Rh1 O1 -121.6(3) . . . . ?
C15 N1 Rh1 O1 58.4(3) 2 . . . ?
C15 N1 Rh1 O3 -30.6(3) . . . . ?
C15 N1 Rh1 O3 149.4(3) 2 . . . ?
C15 N1 Rh1 O3 149.4(3) . . . 2 ?
C15 N1 Rh1 O3 -30.6(3) 2 . . 2 ?
C15 N1 Rh1 Rh2 -44(45) . . . . ?
C15 N1 Rh1 Rh2 136(49) 2 . . . ?
C8 O4 Rh2 O4 -0.3(4) . . . 2 ?
C8 O4 Rh2 O2 -88.2(4) . . . 2 ?
C8 O4 Rh2 O2 87.5(4) . . . . ?
C8 O4 Rh2 N2 179.7(4) . . . . ?
C8 O4 Rh2 Rh1 -0.3(4) . . . . ?
C1 O2 Rh2 O4 -88.5(5) . . . . ?
C1 O2 Rh2 O4 88.0(5) . . . 2 ?
C1 O2 Rh2 O2 -0.3(4) . . . 2 ?
C1 O2 Rh2 N2 179.7(4) . . . . ?
C1 O2 Rh2 Rh1 -0.3(4) . . . . ?
C16 N2 Rh2 O4 29.3(3) . . . . ?
C16 N2 Rh2 O4 -150.7(3) 2 . . . ?
C16 N2 Rh2 O4 -150.7(3) . . . 2 ?
C16 N2 Rh2 O4 29.3(3) 2 . . 2 ?
C16 N2 Rh2 O2 -60.5(3) . . . 2 ?
C16 N2 Rh2 O2 119.5(3) 2 . . 2 ?
C16 N2 Rh2 O2 119.5(3) . . . . ?
C16 N2 Rh2 O2 -60.5(3) 2 . . . ?
C16 N2 Rh2 Rh1 -136(49) . . . . ?
C16 N2 Rh2 Rh1 44(46) 2 . . . ?
O1 Rh1 Rh2 O4 -87.38(18) 2 . . . ?
O1 Rh1 Rh2 O4 92.62(18) . . . . ?
O3 Rh1 Rh2 O4 1.60(18) . . . . ?
O3 Rh1 Rh2 O4 -178.40(18) 2 . . . ?
N1 Rh1 Rh2 O4 15(45) . . . . ?
O1 Rh1 Rh2 O4 92.62(18) 2 . . 2 ?
O1 Rh1 Rh2 O4 -87.38(18) . . . 2 ?
O3 Rh1 Rh2 O4 -178.40(18) . . . 2 ?
O3 Rh1 Rh2 O4 1.60(18) 2 . . 2 ?
N1 Rh1 Rh2 O4 -165(49) . . . 2 ?
O1 Rh1 Rh2 O2 2.4(2) 2 . . 2 ?
O1 Rh1 Rh2 O2 -177.6(2) . . . 2 ?
O3 Rh1 Rh2 O2 91.40(18) . . . 2 ?
O3 Rh1 Rh2 O2 -88.60(18) 2 . . 2 ?
N1 Rh1 Rh2 O2 105(45) . . . 2 ?
O1 Rh1 Rh2 O2 -177.6(2) 2 . . . ?
O1 Rh1 Rh2 O2 2.4(2) . . . . ?
O3 Rh1 Rh2 O2 -88.60(18) . . . . ?
O3 Rh1 Rh2 O2 91.40(18) 2 . . . ?
N1 Rh1 Rh2 O2 -75(49) . . . . ?
O1 Rh1 Rh2 N2 77(100) 2 . . . ?
O1 Rh1 Rh2 N2 -103(100) . . . . ?
O3 Rh1 Rh2 N2 166(100) . . . . ?
O3 Rh1 Rh2 N2 -14(100) 2 . . . ?
N1 Rh1 Rh2 N2 0(47) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        28.32
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.491
_refine_diff_density_min         -1.680
_refine_diff_density_rms         0.204