#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/62/2216297.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2216297
loop_
_publ_author_name
'Li-Na Zhu'
'Shan Gao'
'Ng, Seik Weng'
_publ_section_title
;
 Poly[dimethylammonium
 [bis(dimethylamine)tri-μ₄-terephthalato-sodium(I)dizinc(II)]]
;
_journal_coeditor_code           BT2587
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2987
_journal_page_last               m2988
_journal_paper_doi               10.1107/S1600536807056243
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C2 H8 N) [Na Zn2 (C8 H4 O4)3 (C2 H7 N)2]'
_chemical_formula_moiety         'C2 H8 N +, C28 H26 N2 Na O12 Zn2 -'
_chemical_formula_sum            'C30 H34 N3 Na O12 Zn2'
_chemical_formula_weight         782.33
_chemical_name_systematic
;
Poly[dimethylammonium
[bis(dimethylamine)tri-μ₄-terephthalato-sodium(I)dizinc(II)]]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.8010(10)
_cell_angle_beta                 100.4980(10)
_cell_angle_gamma                109.2570(10)
_cell_formula_units_Z            1
_cell_length_a                   9.7893(4)
_cell_length_b                   10.3641(4)
_cell_length_c                   10.6649(4)
_cell_measurement_reflns_used    8042
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     889.29(6)
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics
'X-Seed (Barbour, 2001); OLEX (Dolomanov et al.,  2003)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8744
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.423
_exptl_absorpt_correction_T_max  0.764
_exptl_absorpt_correction_T_min  0.500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             402
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.520
_refine_diff_density_min         -0.374
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         4032
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0891P)²+0.6910P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1294
_refine_ls_wR_factor_ref         0.1335
_reflns_number_gt                3743
_reflns_number_total             4032
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt2587.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2216297
_cod_database_fobs_code          2216297
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.59102(3) 0.46809(3) 0.79701(3) 0.02569(13) Uani d . 1 . .
Na Na1 0.5000 0.5000 0.5000 0.0244(3) Uani d S 1 . .
O O1 0.5534(4) 0.7060(3) 0.7200(3) 0.0504(6) Uani d . 1 . .
O O2 0.5491(3) 0.6447(2) 0.8990(2) 0.0373(5) Uani d . 1 . .
O O3 0.3246(3) 0.3460(3) 0.5606(3) 0.0487(6) Uani d . 1 . .
O O4 0.4059(2) 0.2685(3) 0.7140(3) 0.0442(5) Uani d . 1 . .
O O5 0.6919(2) 0.4596(3) 0.6530(2) 0.0385(5) Uani d . 1 . .
O O6 0.9088(3) 0.6470(3) 0.8285(3) 0.0530(6) Uani d . 1 . .
N N1 0.7009(3) 0.4443(3) 0.9649(3) 0.0379(6) Uani d . 1 . .
H H1 0.6297 0.3985 0.9910 0.045 Uiso calc R 1 . .
C C1 0.5425(3) 0.7297(3) 0.8384(3) 0.0337(6) Uani d . 1 . .
C C2 0.5199(3) 0.8695(3) 0.9231(3) 0.0314(5) Uani d . 1 . .
C C3 0.4778(4) 0.9489(3) 0.8546(3) 0.0368(6) Uani d . 1 . .
H H3 0.4632 0.9147 0.7572 0.044 Uiso calc R 1 . .
C C4 0.5425(4) 0.9221(3) 1.0700(3) 0.0354(6) Uani d . 1 . .
H H4 0.5711 0.8703 1.1168 0.042 Uiso calc R 1 . .
C C5 0.3034(3) 0.2560(3) 0.6121(3) 0.0357(6) Uani d . 1 . .
C C6 0.1461(4) 0.1213(4) 0.5529(4) 0.0409(7) Uani d . 1 . .
C C7 0.0188(4) 0.1272(4) 0.4790(5) 0.0598(11) Uani d . 1 . .
H H7 0.0311 0.2126 0.4640 0.072 Uiso calc R 1 . .
C C8 0.1269(4) -0.0070(5) 0.5731(5) 0.0597(11) Uani d . 1 . .
H H8 0.2121 -0.0127 0.6218 0.072 Uiso calc R 1 . .
C C9 0.8376(3) 0.5484(4) 0.7029(3) 0.0352(6) Uani d . 1 . .
C C10 0.9209(3) 0.5225(3) 0.5965(3) 0.0307(5) Uani d . 1 . .
C C11 0.8412(3) 0.4176(4) 0.4516(4) 0.0367(6) Uani d . 1 . .
H H11 0.7345 0.3623 0.4187 0.044 Uiso calc R 1 . .
C C12 1.0806(3) 0.6048(4) 0.6438(3) 0.0365(6) Uani d . 1 . .
H H12 1.1350 0.6755 0.7405 0.044 Uiso calc R 1 . .
C C13 0.7748(5) 0.3415(5) 0.9174(5) 0.0580(10) Uani d . 1 . .
H H13A 0.7019 0.2478 0.8332 0.087 Uiso calc R 1 . .
H H13B 0.8092 0.3180 0.9929 0.087 Uiso calc R 1 . .
H H13C 0.8616 0.3917 0.8952 0.087 Uiso calc R 1 . .
C C14 0.8095(4) 0.5905(5) 1.0944(4) 0.0552(9) Uani d . 1 . .
H H14A 0.7582 0.6551 1.1234 0.083 Uiso calc R 1 . .
H H14B 0.8961 0.6424 1.0730 0.083 Uiso calc R 1 . .
H H14C 0.8448 0.5689 1.1711 0.083 Uiso calc R 1 . .
N N2 0.972(2) 0.971(5) 0.987(3) 0.208(10) Uani d PDU 0.50 A -1
H H2A 0.9050 0.8762 0.9352 0.249 Uiso calc PR 0.50 A -1
H H2B 0.9252 1.0288 0.9983 0.249 Uiso calc PR 0.50 A -1
C C15 1.083(2) 1.0104(17) 0.9171(17) 0.113(5) Uani d PDU 0.50 A -1
H H15A 1.0303 1.0028 0.8274 0.170 Uiso calc PR 0.50 A -1
H H15B 1.1296 0.9404 0.8991 0.170 Uiso calc PR 0.50 A -1
H H15C 1.1609 1.1140 0.9785 0.170 Uiso calc PR 0.50 A -1
C C16 1.059(3) 0.994(2) 1.1262(18) 0.156(8) Uani d PDU 0.50 A -1
H H16A 0.9906 0.9761 1.1783 0.235 Uiso calc PR 0.50 A -1
H H16B 1.1385 1.0981 1.1802 0.235 Uiso calc PR 0.50 A -1
H H16C 1.1050 0.9234 1.1119 0.235 Uiso calc PR 0.50 A -1
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O5 Zn1 O2 . . 122.49(9)
O5 Zn1 O4 . . 107.71(10)
O2 Zn1 O4 . . 111.96(10)
O5 Zn1 N1 . . 114.27(10)
O2 Zn1 N1 . . 101.73(10)
O4 Zn1 N1 . . 95.35(10)
O3 Na1 O3 . 2_666 180.00(12)
O3 Na1 O1 . . 87.36(10)
O3 Na1 O1 2_666 . 92.64(10)
O3 Na1 O1 . 2_666 92.64(10)
O3 Na1 O1 2_666 2_666 87.36(10)
O1 Na1 O1 . 2_666 180.0
O3 Na1 O5 . . 83.95(8)
O3 Na1 O5 2_666 . 96.05(8)
O1 Na1 O5 . . 82.33(9)
O1 Na1 O5 2_666 . 97.67(9)
O3 Na1 O5 . 2_666 96.05(8)
O3 Na1 O5 2_666 2_666 83.95(8)
O1 Na1 O5 . 2_666 97.67(9)
O1 Na1 O5 2_666 2_666 82.33(9)
O5 Na1 O5 . 2_666 180.0
C1 O1 Na1 . . 139.5(2)
C1 O2 Zn1 . . 116.88(18)
C5 O3 Na1 . . 144.9(2)
C5 O4 Zn1 . . 110.7(2)
C9 O5 Zn1 . . 115.7(2)
C9 O5 Na1 . . 121.97(19)
Zn1 O5 Na1 . . 94.39(8)
C13 N1 C14 . . 111.2(3)
C13 N1 Zn1 . . 111.3(2)
C14 N1 Zn1 . . 115.2(2)
C13 N1 H1 . . 106.1
C14 N1 H1 . . 106.2
Zn1 N1 H1 . . 106.1
O1 C1 O2 . . 125.3(3)
O1 C1 C2 . . 118.9(3)
O2 C1 C2 . . 115.7(2)
C3 C2 C4 . . 119.3(3)
C3 C2 C1 . . 119.6(3)
C4 C2 C1 . . 121.1(2)
C4 C3 C2 2_677 . 120.7(3)
C4 C3 H3 2_677 . 119.7
C2 C3 H3 . . 119.7
C3 C4 C2 2_677 . 120.0(3)
C3 C4 H4 2_677 . 120.0
C2 C4 H4 . . 120.0
O3 C5 O4 . . 124.1(3)
O3 C5 C6 . . 119.0(3)
O4 C5 C6 . . 116.9(3)
C7 C6 C8 . . 119.3(3)
C7 C6 C5 . . 119.5(3)
C8 C6 C5 . . 121.3(3)
C6 C7 C8 . 2_556 120.5(3)
C6 C7 H7 . . 119.7
C8 C7 H7 2_556 . 119.7
C6 C8 C7 . 2_556 120.2(3)
C6 C8 H8 . . 119.9
C7 C8 H8 2_556 . 119.9
O6 C9 O5 . . 123.9(3)
O6 C9 C10 . . 120.2(3)
O5 C9 C10 . . 115.8(3)
C11 C10 C12 . . 119.0(3)
C11 C10 C9 . . 121.3(3)
C12 C10 C9 . . 119.7(3)
C12 C11 C10 2_766 . 120.4(3)
C12 C11 H11 2_766 . 119.8
C10 C11 H11 . . 119.8
C11 C12 C10 2_766 . 120.5(3)
C11 C12 H12 2_766 . 119.7
C10 C12 H12 . . 119.7
N1 C13 H13A . . 109.5
N1 C13 H13B . . 109.5
H13A C13 H13B . . 109.5
N1 C13 H13C . . 109.5
H13A C13 H13C . . 109.5
H13B C13 H13C . . 109.5
N1 C14 H14A . . 109.5
N1 C14 H14B . . 109.5
H14A C14 H14B . . 109.5
N1 C14 H14C . . 109.5
H14A C14 H14C . . 109.5
H14B C14 H14C . . 109.5
C15 N2 C16 . . 107.3(10)
C15 N2 H2A . . 110.3
C16 N2 H2A . . 110.3
C15 N2 H2B . . 110.3
C16 N2 H2B . . 110.3
H2A N2 H2B . . 108.5
N2 C15 H15A . . 109.5
N2 C15 H15B . . 109.5
H15A C15 H15B . . 109.5
N2 C15 H15C . . 109.5
H15A C15 H15C . . 109.5
H15B C15 H15C . . 109.5
N2 C16 H16A . . 109.5
N2 C16 H16B . . 109.5
H16A C16 H16B . . 109.5
N2 C16 H16C . . 109.5
H16A C16 H16C . . 109.5
H16B C16 H16C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Zn1 O5 . 1.963(2)
Zn1 O2 . 1.970(2)
Zn1 O4 . 1.982(2)
Zn1 N1 . 2.056(3)
Na1 O3 . 2.297(2)
Na1 O3 2_666 2.297(2)
Na1 O1 . 2.331(2)
Na1 O1 2_666 2.331(2)
Na1 O5 . 2.505(2)
Na1 O5 2_666 2.505(2)
O1 C1 . 1.226(4)
O2 C1 . 1.282(4)
O3 C5 . 1.229(4)
O4 C5 . 1.271(4)
O5 C9 . 1.288(4)
O6 C9 . 1.224(4)
N1 C13 . 1.468(5)
N1 C14 . 1.477(5)
N1 H1 . 0.8600
C1 C2 . 1.509(4)
C2 C3 . 1.393(4)
C2 C4 . 1.400(4)
C3 C4 2_677 1.382(4)
C3 H3 . 0.9300
C4 C3 2_677 1.382(4)
C4 H4 . 0.9300
C5 C6 . 1.514(4)
C6 C7 . 1.381(5)
C6 C8 . 1.383(5)
C7 C8 2_556 1.386(5)
C7 H7 . 0.9300
C8 C7 2_556 1.386(5)
C8 H8 . 0.9300
C9 C10 . 1.510(4)
C10 C11 . 1.390(4)
C10 C12 . 1.393(4)
C11 C12 2_766 1.378(4)
C11 H11 . 0.9300
C12 C11 2_766 1.378(4)
C12 H12 . 0.9300
C13 H13A . 0.9600
C13 H13B . 0.9600
C13 H13C . 0.9600
C14 H14A . 0.9600
C14 H14B . 0.9600
C14 H14C . 0.9600
N2 C15 . 1.455(10)
N2 C16 . 1.458(10)
N2 H2A . 0.8600
N2 H2B . 0.8600
C15 H15A . 0.9600
C15 H15B . 0.9600
C15 H15C . 0.9600
C16 H16A . 0.9600
C16 H16B . 0.9600
C16 H16C . 0.9600
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1 O2 2_667 0.86 2.29 3.122(3) 162 no
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O3 Na1 O1 C1 . . 22.2(4)
O3 Na1 O1 C1 2_666 . -157.8(4)
O5 Na1 O1 C1 . . -62.1(4)
O5 Na1 O1 C1 2_666 . 117.9(4)
O5 Zn1 O2 C1 . . 22.2(3)
O4 Zn1 O2 C1 . . -108.0(2)
N1 Zn1 O2 C1 . . 151.2(2)
O1 Na1 O3 C5 . . -96.9(4)
O1 Na1 O3 C5 2_666 . 83.1(4)
O5 Na1 O3 C5 . . -14.4(4)
O5 Na1 O3 C5 2_666 . 165.6(4)
Zn1 Na1 O3 C5 . . -40.3(4)
Zn1 Na1 O3 C5 2_666 . 139.7(4)
O5 Zn1 O4 C5 . . -69.6(2)
O2 Zn1 O4 C5 . . 67.9(2)
N1 Zn1 O4 C5 . . 172.8(2)
O2 Zn1 O5 C9 . . 73.2(2)
O4 Zn1 O5 C9 . . -154.8(2)
N1 Zn1 O5 C9 . . -50.3(2)
O2 Zn1 O5 Na1 . . -55.59(12)
O4 Zn1 O5 Na1 . . 76.39(10)
N1 Zn1 O5 Na1 . . -179.06(9)
O3 Na1 O5 C9 . . -162.0(2)
O3 Na1 O5 C9 2_666 . 18.0(2)
O1 Na1 O5 C9 . . -73.9(2)
O1 Na1 O5 C9 2_666 . 106.1(2)
O3 Na1 O5 Zn1 . . -37.89(10)
O3 Na1 O5 Zn1 2_666 . 142.11(10)
O1 Na1 O5 Zn1 . . 50.25(9)
O1 Na1 O5 Zn1 2_666 . -129.75(9)
O5 Zn1 N1 C13 . . -33.0(3)
O2 Zn1 N1 C13 . . -167.0(2)
O4 Zn1 N1 C13 . . 79.2(2)
Na1 Zn1 N1 C13 . . -35.5(4)
O5 Zn1 N1 C14 . . 94.8(3)
O2 Zn1 N1 C14 . . -39.2(3)
O4 Zn1 N1 C14 . . -153.0(2)
Na1 Zn1 N1 C14 . . 92.3(4)
Na1 O1 C1 O2 . . 29.8(6)
Na1 O1 C1 C2 . . -150.5(3)
Zn1 O2 C1 O1 . . 3.3(4)
Zn1 O2 C1 C2 . . -176.43(19)
O1 C1 C2 C3 . . 14.2(5)
O2 C1 C2 C3 . . -166.0(3)
O1 C1 C2 C4 . . -165.0(3)
O2 C1 C2 C4 . . 14.8(4)
C4 C2 C3 C4 . 2_677 -0.3(5)
C1 C2 C3 C4 . 2_677 -179.5(3)
C3 C2 C4 C3 . 2_677 0.3(5)
C1 C2 C4 C3 . 2_677 179.5(3)
Na1 O3 C5 O4 . . 35.7(6)
Na1 O3 C5 C6 . . -144.7(3)
Zn1 O4 C5 O3 . . 8.7(4)
Zn1 O4 C5 C6 . . -170.9(2)
O3 C5 C6 C7 . . -20.8(5)
O4 C5 C6 C7 . . 158.9(4)
O3 C5 C6 C8 . . 160.1(4)
O4 C5 C6 C8 . . -20.3(5)
C8 C6 C7 C8 . 2_556 0.8(8)
C5 C6 C7 C8 . 2_556 -178.4(4)
C7 C6 C8 C7 . 2_556 -0.8(8)
C5 C6 C8 C7 . 2_556 178.4(4)
Zn1 O5 C9 O6 . . -8.9(4)
Na1 O5 C9 O6 . . 104.7(3)
Zn1 O5 C9 C10 . . 169.76(18)
Na1 O5 C9 C10 . . -76.6(3)
O6 C9 C10 C11 . . -176.2(3)
O5 C9 C10 C11 . . 5.1(4)
O6 C9 C10 C12 . . 3.8(4)
O5 C9 C10 C12 . . -174.9(3)
C12 C10 C11 C12 . 2_766 0.2(5)
C9 C10 C11 C12 . 2_766 -179.8(3)
C11 C10 C12 C11 . 2_766 -0.2(5)
C9 C10 C12 C11 . 2_766 179.8(3)
