data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Jurgen Kopf'
_publ_contact_author_address     
;
Martin-Luther-King Platz 6
D-20149 Mamburg
GERMANY
;

_publ_contact_author_email       ACM@HTE-COMPANY.DE

_publ_section_title              
;
A General One-Pot Synthesis for
Elusive 2-Substituted Indenes: Does
Bis[2-(tert-butyl)indenyl]zirconium(IV) Dichloride/MAO
Polymerise Ethene?
;
loop_
_publ_author_name
A.C.Moller
R.Blom
R.Heyn
O.Swang
J.Kopf
T.Seraidaris

data_f1a2bjk
_database_code_depnum_ccdc_archive 'CCDC 262628'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            
'Bis(2-tert-butylindenyl)zirconium(IV) Dichloride'
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H30 Cl2 Zr'
_chemical_formula_sum            'C26 H30 Cl2 Zr'
_chemical_formula_weight         504.62

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.6370(8)
_cell_length_b                   15.3389(7)
_cell_length_c                   18.6134(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.2000(10)
_cell_angle_gamma                90.00
_cell_volume                     4774.3(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       blocks
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2080
_exptl_absorpt_coefficient_mu    0.694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7228
_exptl_absorpt_correction_T_max  0.8456
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      153(2)
_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 Apex area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        0
_diffrn_reflns_number            63773
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.22
_diffrn_reflns_theta_max         30.00
_reflns_number_total             13804
_reflns_number_gt                11122
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  'PLATON (Spek, 1990)'

_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^)+(0.0307P)^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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13804
_refine_ls_number_parameters     535
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0735
_refine_ls_wR_factor_gt          0.0702
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.002
_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
Zr1 Zr 0.460442(10) 0.500248(11) 0.224932(10) 0.01592(4) Uani 1 1 d . . .
Cl11 Cl 0.39783(3) 0.62761(3) 0.25253(3) 0.02754(11) Uani 1 1 d . . .
Cl12 Cl 0.51453(3) 0.58093(3) 0.14803(3) 0.02815(11) Uani 1 1 d . . .
C1A C 0.51621(11) 0.47074(13) 0.37209(10) 0.0234(4) Uani 1 1 d . . .
C1B C 0.39051(10) 0.42700(11) 0.08449(10) 0.0179(4) Uani 1 1 d . . .
C2A C 0.53329(11) 0.39199(12) 0.34086(11) 0.0244(4) Uani 1 1 d . . .
C2B C 0.41076(10) 0.36138(11) 0.14514(10) 0.0170(3) Uani 1 1 d . . .
C3A C 0.58717(11) 0.41429(12) 0.30812(11) 0.0241(4) Uani 1 1 d . . .
H3A H 0.6038 0.3767 0.2778 0.029 Uiso 1 1 calc R . .
C3B C 0.36464(10) 0.37879(11) 0.18831(10) 0.0169(3) Uani 1 1 d . . .
H3B H 0.3681 0.3478 0.2339 0.020 Uiso 1 1 calc R . .
C4A C 0.61178(11) 0.50251(12) 0.32850(11) 0.0231(4) Uani 1 1 d . . .
C4B C 0.31300(10) 0.45015(11) 0.15129(10) 0.0171(3) Uani 1 1 d . . .
C5A C 0.56414(11) 0.53909(12) 0.36226(10) 0.0229(4) Uani 1 1 d . . .
H5A H 0.5637 0.5986 0.3761 0.028 Uiso 1 1 calc R . .
C5B C 0.33379(10) 0.48423(11) 0.09261(10) 0.0178(4) Uani 1 1 d . . .
H5B H 0.3135 0.5365 0.0633 0.021 Uiso 1 1 calc R . .
C6A C 0.50214(12) 0.31086(13) 0.35171(11) 0.0304(5) Uani 1 1 d . . .
H6A H 0.5147 0.2580 0.3331 0.037 Uiso 1 1 calc R . .
C6B C 0.46581(11) 0.29418(12) 0.15069(11) 0.0211(4) Uani 1 1 d . . .
H6B H 0.4808 0.2510 0.1914 0.025 Uiso 1 1 calc R . .
C7A C 0.45394(13) 0.31083(15) 0.38950(12) 0.0362(5) Uani 1 1 d . . .
H7A H 0.4343 0.2570 0.3988 0.043 Uiso 1 1 calc R . .
C7B C 0.49648(11) 0.29310(13) 0.09643(12) 0.0258(4) Uani 1 1 d . . .
H7B H 0.5317 0.2474 0.0985 0.031 Uiso 1 1 calc R . .
C8A C 0.43253(13) 0.38910(16) 0.41520(12) 0.0370(5) Uani 1 1 d . . .
H8A H 0.3974 0.3866 0.4397 0.044 Uiso 1 1 calc R . .
C8B C 0.47698(11) 0.35871(13) 0.03689(11) 0.0249(4) Uani 1 1 d . . .
H8B H 0.5002 0.3563 0.0006 0.030 Uiso 1 1 calc R . .
C9A C 0.46113(12) 0.46869(15) 0.40582(11) 0.0305(5) Uani 1 1 d . . .
H9A H 0.4445 0.5209 0.4215 0.037 Uiso 1 1 calc R . .
C9B C 0.42562(11) 0.42525(12) 0.03056(11) 0.0223(4) Uani 1 1 d . . .
H9B H 0.4137 0.4693 -0.0090 0.027 Uiso 1 1 calc R . .
C10A C 0.68673(11) 0.54328(13) 0.32966(13) 0.0293(4) Uani 1 1 d . . .
C10B C 0.23918(10) 0.47277(12) 0.16245(11) 0.0209(4) Uani 1 1 d . . .
C11A C 0.68142(12) 0.64267(14) 0.32212(14) 0.0377(5) Uani 1 1 d . . .
H11A H 0.6392 0.6588 0.2694 0.057 Uiso 1 1 calc R . .
H11B H 0.7327 0.6660 0.3281 0.057 Uiso 1 1 calc R . .
H11C H 0.6689 0.6669 0.3640 0.057 Uiso 1 1 calc R . .
C11B C 0.25431(12) 0.47176(14) 0.25036(11) 0.0292(4) Uani 1 1 d . . .
H11D H 0.2758 0.4148 0.2739 0.044 Uiso 1 1 calc R . .
H11E H 0.2039 0.4823 0.2536 0.044 Uiso 1 1 calc R . .
H11F H 0.2929 0.5175 0.2798 0.044 Uiso 1 1 calc R . .
C12A C 0.70864(13) 0.50361(16) 0.26604(14) 0.0406(6) Uani 1 1 d . . .
H12A H 0.7146 0.4403 0.2736 0.061 Uiso 1 1 calc R . .
H12B H 0.7591 0.5288 0.2715 0.061 Uiso 1 1 calc R . .
H12C H 0.6662 0.5164 0.2125 0.061 Uiso 1 1 calc R . .
C12B C 0.17860(12) 0.40045(14) 0.11758(13) 0.0334(5) Uani 1 1 d . . .
H12D H 0.1682 0.4003 0.0612 0.050 Uiso 1 1 calc R . .
H12E H 0.1285 0.4112 0.1214 0.050 Uiso 1 1 calc R . .
H12F H 0.2005 0.3438 0.1417 0.050 Uiso 1 1 calc R . .
C13A C 0.75383(12) 0.51999(16) 0.41353(14) 0.0414(6) Uani 1 1 d . . .
H13A H 0.7408 0.5446 0.4549 0.062 Uiso 1 1 calc R . .
H13B H 0.8047 0.5442 0.4192 0.062 Uiso 1 1 calc R . .
H13C H 0.7584 0.4565 0.4194 0.062 Uiso 1 1 calc R . .
C13B C 0.20331(12) 0.56054(13) 0.12430(12) 0.0287(4) Uani 1 1 d . . .
H13D H 0.2432 0.6066 0.1486 0.043 Uiso 1 1 calc R . .
H13E H 0.1563 0.5731 0.1333 0.043 Uiso 1 1 calc R . .
H13F H 0.1874 0.5581 0.0666 0.043 Uiso 1 1 calc R . .
Zr2 Zr 0.045026(10) 0.740511(11) 0.259042(10) 0.01578(4) Uani 1 1 d . . .
Cl21 Cl 0.01186(3) 0.66134(3) 0.13607(3) 0.02451(10) Uani 1 1 d . . .
Cl22 Cl 0.08099(3) 0.60984(3) 0.34301(3) 0.02698(10) Uani 1 1 d . . .
C1C C 0.14367(11) 0.80759(12) 0.20827(11) 0.0212(4) Uani 1 1 d . . .
C1D C -0.03807(10) 0.77950(11) 0.33012(10) 0.0178(4) Uani 1 1 d . . .
C2C C 0.11790(11) 0.87438(12) 0.24538(11) 0.0208(4) Uani 1 1 d . . .
C2D C -0.03764(10) 0.85739(11) 0.28793(10) 0.0171(3) Uani 1 1 d . . .
C3C C 0.14751(10) 0.85105(12) 0.32871(11) 0.0202(4) Uani 1 1 d . . .
H3C H 0.1365 0.8812 0.3673 0.024 Uiso 1 1 calc R . .
C3D C -0.07780(10) 0.83747(12) 0.20406(11) 0.0206(4) Uani 1 1 d . . .
H3D H -0.0814 0.8747 0.1618 0.025 Uiso 1 1 calc R . .
C4C C 0.19588(10) 0.77553(12) 0.34322(11) 0.0210(4) Uani 1 1 d . . .
C4D C -0.11117(10) 0.75273(12) 0.19503(11) 0.0220(4) Uani 1 1 d . . .
C5C C 0.18772(10) 0.74445(12) 0.26826(11) 0.0206(4) Uani 1 1 d . . .
H5C H 0.2080 0.6908 0.2593 0.025 Uiso 1 1 calc R . .
C5D C -0.08199(10) 0.71468(12) 0.27173(11) 0.0205(4) Uani 1 1 d . . .
H5D H -0.0901 0.6560 0.2828 0.025 Uiso 1 1 calc R . .
C6C C 0.07380(11) 0.94663(12) 0.19911(12) 0.0258(4) Uani 1 1 d . . .
H6C H 0.0548 0.9906 0.2224 0.031 Uiso 1 1 calc R . .
C6D C -0.00658(10) 0.93612(12) 0.33094(11) 0.0197(4) Uani 1 1 d . . .
H6D H -0.0086 0.9889 0.3034 0.024 Uiso 1 1 calc R . .
C7C C 0.05914(12) 0.95170(13) 0.12044(12) 0.0307(5) Uani 1 1 d . . .
H7C H 0.0302 1.0001 0.0893 0.037 Uiso 1 1 calc R . .
C7D C 0.02611(10) 0.93418(12) 0.41254(11) 0.0218(4) Uani 1 1 d . . .
H7D H 0.0463 0.9865 0.4419 0.026 Uiso 1 1 calc R . .
C8C C 0.08607(13) 0.88661(14) 0.08449(12) 0.0310(5) Uani 1 1 d . . .
H8C H 0.0761 0.8931 0.0301 0.037 Uiso 1 1 calc R . .
C8D C 0.03055(11) 0.85569(13) 0.45443(11) 0.0230(4) Uani 1 1 d . . .
H8D H 0.0557 0.8561 0.5113 0.028 Uiso 1 1 calc R . .
C9C C 0.12624(12) 0.81427(13) 0.12606(11) 0.0267(4) Uani 1 1 d . . .
H9C H 0.1420 0.7697 0.1005 0.032 Uiso 1 1 calc R . .
C9D C -0.00056(11) 0.77945(12) 0.41493(11) 0.0212(4) Uani 1 1 d . . .
H9D H 0.0029 0.7273 0.4439 0.025 Uiso 1 1 calc R . .
C10C C 0.25742(11) 0.74499(13) 0.42526(12) 0.0263(4) Uani 1 1 d . . .
C10D C -0.17861(12) 0.71577(14) 0.11867(12) 0.0324(5) Uani 1 1 d . . .
C11C C 0.32592(12) 0.81165(16) 0.44928(13) 0.0373(5) Uani 1 1 d . . .
H11G H 0.3466 0.8117 0.4091 0.056 Uiso 1 1 calc R . .
H11H H 0.3689 0.7958 0.5016 0.056 Uiso 1 1 calc R . .
H11I H 0.3059 0.8699 0.4524 0.056 Uiso 1 1 calc R . .
C11D C -0.17903(12) 0.61592(14) 0.11639(13) 0.0357(5) Uani 1 1 d . . .
H11J H -0.2255 0.5957 0.0685 0.054 Uiso 1 1 calc R . .
H11K H -0.1819 0.5931 0.1642 0.054 Uiso 1 1 calc R . .
H11L H -0.1299 0.5951 0.1150 0.054 Uiso 1 1 calc R . .
C12C C 0.29045(13) 0.65401(15) 0.42241(13) 0.0364(5) Uani 1 1 d . . .
H12G H 0.2466 0.6116 0.4033 0.055 Uiso 1 1 calc R . .
H12H H 0.3303 0.6376 0.4762 0.055 Uiso 1 1 calc R . .
H12I H 0.3155 0.6548 0.3859 0.055 Uiso 1 1 calc R . .
C12D C -0.17760(15) 0.75361(15) 0.04283(12) 0.0452(6) Uani 1 1 d . . .
H12J H -0.1819 0.8173 0.0434 0.068 Uiso 1 1 calc R . .
H12K H -0.2228 0.7302 -0.0045 0.068 Uiso 1 1 calc R . .
H12L H -0.1275 0.7376 0.0412 0.068 Uiso 1 1 calc R . .
C13C C 0.22546(12) 0.74683(15) 0.48849(12) 0.0328(5) Uani 1 1 d . . .
H13G H 0.2047 0.8051 0.4902 0.049 Uiso 1 1 calc R . .
H13H H 0.2688 0.7326 0.5411 0.049 Uiso 1 1 calc R . .
H13I H 0.1824 0.7039 0.4745 0.049 Uiso 1 1 calc R . .
C13D C -0.25635(13) 0.74647(19) 0.12227(16) 0.0580(8) Uani 1 1 d . . .
H13J H -0.2582 0.8103 0.1219 0.087 Uiso 1 1 calc R . .
H13K H -0.2570 0.7247 0.1715 0.087 Uiso 1 1 calc R . .
H13L H -0.3029 0.7238 0.0757 0.087 Uiso 1 1 calc R . .

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
Zr1 0.01658(8) 0.01185(8) 0.01749(9) -0.00001(6) 0.00585(7) -0.00056(6)
Cl11 0.0258(2) 0.0182(2) 0.0347(3) -0.00809(19) 0.0098(2) 0.00094(18)
Cl12 0.0306(2) 0.0253(3) 0.0288(3) 0.00348(19) 0.0133(2) -0.00827(19)
C1A 0.0226(9) 0.0261(10) 0.0140(9) 0.0015(7) 0.0013(7) -0.0003(8)
C1B 0.0187(8) 0.0162(9) 0.0163(9) -0.0020(7) 0.0055(7) -0.0013(7)
C2A 0.0238(9) 0.0208(10) 0.0184(9) 0.0038(7) -0.0001(8) -0.0004(8)
C2B 0.0179(8) 0.0132(8) 0.0187(9) -0.0026(7) 0.0070(7) -0.0030(7)
C3A 0.0222(9) 0.0187(10) 0.0255(10) -0.0010(8) 0.0051(8) 0.0021(7)
C3B 0.0179(8) 0.0149(9) 0.0171(9) 0.0008(7) 0.0070(7) -0.0012(7)
C4A 0.0175(9) 0.0205(10) 0.0245(10) 0.0013(7) 0.0032(7) 0.0008(7)
C4B 0.0160(8) 0.0156(9) 0.0174(9) -0.0022(7) 0.0053(7) -0.0019(7)
C5A 0.0205(9) 0.0209(10) 0.0210(9) -0.0038(7) 0.0034(7) -0.0011(7)
C5B 0.0173(8) 0.0164(9) 0.0167(9) 0.0007(7) 0.0048(7) 0.0021(7)
C6A 0.0316(11) 0.0242(11) 0.0237(10) 0.0082(8) 0.0014(9) -0.0033(8)
C6B 0.0224(9) 0.0153(9) 0.0252(10) 0.0000(7) 0.0102(8) 0.0015(7)
C7A 0.0373(12) 0.0351(13) 0.0252(11) 0.0133(9) 0.0038(9) -0.0078(10)
C7B 0.0238(10) 0.0216(10) 0.0333(11) -0.0046(8) 0.0139(9) 0.0028(8)
C8A 0.0318(11) 0.0566(16) 0.0198(10) 0.0094(10) 0.0087(9) -0.0065(10)
C8B 0.0266(10) 0.0268(11) 0.0254(10) -0.0074(8) 0.0152(8) -0.0031(8)
C9A 0.0275(10) 0.0415(13) 0.0173(10) 0.0009(8) 0.0052(8) -0.0016(9)
C9B 0.0246(9) 0.0234(10) 0.0188(9) -0.0010(7) 0.0096(8) -0.0031(8)
C10A 0.0190(9) 0.0251(11) 0.0410(12) -0.0016(9) 0.0106(9) -0.0017(8)
C10B 0.0174(9) 0.0233(10) 0.0220(9) -0.0015(7) 0.0087(7) 0.0015(7)
C11A 0.0245(10) 0.0272(12) 0.0566(15) -0.0026(10) 0.0136(10) -0.0078(9)
C11B 0.0289(10) 0.0349(12) 0.0291(11) 0.0009(9) 0.0175(9) 0.0038(9)
C12A 0.0287(11) 0.0422(14) 0.0563(15) -0.0018(11) 0.0237(11) -0.0012(10)
C12B 0.0202(10) 0.0376(13) 0.0446(13) -0.0112(10) 0.0164(9) -0.0049(9)
C13A 0.0204(10) 0.0401(14) 0.0511(15) 0.0005(11) 0.0043(10) 0.0007(9)
C13B 0.0228(10) 0.0336(12) 0.0283(11) 0.0004(9) 0.0100(8) 0.0093(8)
Zr2 0.01680(8) 0.01332(9) 0.01748(9) -0.00073(6) 0.00780(7) 0.00027(6)
Cl21 0.0284(2) 0.0227(2) 0.0261(2) -0.00847(18) 0.0154(2) -0.00525(18)
Cl22 0.0264(2) 0.0210(2) 0.0299(3) 0.00715(19) 0.0092(2) 0.00191(18)
C1C 0.0202(9) 0.0204(10) 0.0266(10) -0.0033(7) 0.0136(8) -0.0053(7)
C1D 0.0167(8) 0.0171(9) 0.0219(9) 0.0007(7) 0.0107(7) 0.0011(7)
C2C 0.0197(9) 0.0176(9) 0.0272(10) -0.0025(7) 0.0125(8) -0.0043(7)
C2D 0.0171(8) 0.0166(9) 0.0207(9) 0.0002(7) 0.0111(7) 0.0027(7)
C3C 0.0175(8) 0.0208(9) 0.0227(9) -0.0051(7) 0.0094(7) -0.0020(7)
C3D 0.0213(9) 0.0219(10) 0.0175(9) 0.0000(7) 0.0076(7) 0.0057(7)
C4C 0.0166(8) 0.0230(10) 0.0239(10) -0.0031(7) 0.0093(7) -0.0008(7)
C4D 0.0168(9) 0.0252(10) 0.0227(9) -0.0059(8) 0.0075(7) 0.0024(7)
C5C 0.0187(9) 0.0201(9) 0.0257(10) -0.0051(7) 0.0121(8) -0.0003(7)
C5D 0.0170(8) 0.0178(9) 0.0269(10) -0.0027(7) 0.0098(8) -0.0019(7)
C6C 0.0251(10) 0.0190(10) 0.0344(11) 0.0012(8) 0.0142(9) -0.0025(8)
C6D 0.0203(9) 0.0158(9) 0.0257(10) -0.0011(7) 0.0127(8) 0.0003(7)
C7C 0.0317(11) 0.0235(11) 0.0345(12) 0.0073(9) 0.0123(9) -0.0031(9)
C7D 0.0187(9) 0.0230(10) 0.0249(10) -0.0074(8) 0.0107(8) -0.0019(7)
C8C 0.0364(11) 0.0313(12) 0.0249(11) 0.0000(9) 0.0132(9) -0.0129(9)
C8D 0.0199(9) 0.0326(11) 0.0162(9) -0.0022(8) 0.0077(7) 0.0020(8)
C9C 0.0318(10) 0.0264(11) 0.0262(10) -0.0050(8) 0.0167(9) -0.0089(8)
C9D 0.0206(9) 0.0230(10) 0.0217(9) 0.0034(7) 0.0109(8) 0.0018(7)
C10C 0.0190(9) 0.0316(11) 0.0248(10) -0.0045(8) 0.0065(8) 0.0034(8)
C10D 0.0199(10) 0.0361(12) 0.0299(11) -0.0133(9) 0.0007(8) 0.0037(8)
C11C 0.0215(10) 0.0526(15) 0.0319(12) -0.0079(10) 0.0065(9) -0.0037(10)
C11D 0.0265(11) 0.0384(13) 0.0375(12) -0.0155(10) 0.0099(9) -0.0086(9)
C12C 0.0294(11) 0.0401(13) 0.0332(12) 0.0010(10) 0.0079(9) 0.0129(10)
C12D 0.0516(15) 0.0383(14) 0.0224(11) -0.0068(10) -0.0049(10) 0.0125(11)
C13C 0.0292(11) 0.0439(14) 0.0229(10) -0.0005(9) 0.0094(9) 0.0049(9)
C13D 0.0193(11) 0.079(2) 0.0577(17) -0.0383(15) 0.0005(11) 0.0082(12)

_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 Cl12 2.4230(5) . ?
Zr1 Cl11 2.4436(5) . ?
Zr1 C3B 2.4595(17) . ?
Zr1 C5A 2.5024(17) . ?
Zr1 C1A 2.5048(17) . ?
Zr1 C2B 2.5271(17) . ?
Zr1 C3A 2.5465(18) . ?
Zr1 C5B 2.5622(17) . ?
Zr1 C2A 2.5826(18) . ?
Zr1 C4B 2.5873(17) . ?
Zr1 C1B 2.6051(17) . ?
Zr1 C4A 2.6214(18) . ?
C1A C9A 1.421(3) . ?
C1A C2A 1.436(3) . ?
C1A C5A 1.440(3) . ?
C1B C9B 1.420(2) . ?
C1B C2B 1.433(2) . ?
C1B C5B 1.432(2) . ?
C2A C6A 1.425(3) . ?
C2A C3A 1.427(3) . ?
C2B C6B 1.426(2) . ?
C2B C3B 1.437(2) . ?
C3A C4A 1.425(3) . ?
C3A H3A 0.9500 . ?
C3B C4B 1.419(2) . ?
C3B H3B 0.9500 . ?
C4A C5A 1.411(3) . ?
C4A C10A 1.522(3) . ?
C4B C5B 1.411(2) . ?
C4B C10B 1.519(2) . ?
C5A H5A 0.9500 . ?
C5B H5B 0.9500 . ?
C6A C7A 1.364(3) . ?
C6A H6A 0.9500 . ?
C6B C7B 1.363(3) . ?
C6B H6B 0.9500 . ?
C7A C8A 1.414(3) . ?
C7A H7A 0.9500 . ?
C7B C8B 1.420(3) . ?
C7B H7B 0.9500 . ?
C8A C9A 1.374(3) . ?
C8A H8A 0.9500 . ?
C8B C9B 1.368(3) . ?
C8B H8B 0.9500 . ?
C9A H9A 0.9500 . ?
C9B H9B 0.9500 . ?
C10A C11A 1.530(3) . ?
C10A C12A 1.538(3) . ?
C10A C13A 1.551(3) . ?
C10B C13B 1.531(3) . ?
C10B C11B 1.533(3) . ?
C10B C12B 1.539(3) . ?
C11A H11A 0.9800 . ?
C11A H11B 0.9800 . ?
C11A H11C 0.9800 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12A H12C 0.9800 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13A H13C 0.9800 . ?
C13B H13D 0.9800 . ?
C13B H13E 0.9800 . ?
C13B H13F 0.9800 . ?
Zr2 Cl21 2.4180(5) . ?
Zr2 Cl22 2.4463(5) . ?
Zr2 C3C 2.4531(17) . ?
Zr2 C5D 2.5120(17) . ?
Zr2 C1D 2.5130(17) . ?
Zr2 C2C 2.5358(18) . ?
Zr2 C3D 2.5359(17) . ?
Zr2 C2D 2.5706(16) . ?
Zr2 C5C 2.5890(17) . ?
Zr2 C4C 2.5997(18) . ?
Zr2 C1C 2.6202(17) . ?
Zr2 C4D 2.6204(18) . ?
C1C C9C 1.421(3) . ?
C1C C5C 1.431(3) . ?
C1C C2C 1.432(2) . ?
C1D C9D 1.417(2) . ?
C1D C2D 1.432(2) . ?
C1D C5D 1.433(2) . ?
C2C C6C 1.421(3) . ?
C2C C3C 1.443(3) . ?
C2D C6D 1.423(2) . ?
C2D C3D 1.435(2) . ?
C3C C4C 1.419(2) . ?
C3C H3C 0.9500 . ?
C3D C4D 1.419(3) . ?
C3D H3D 0.9500 . ?
C4C C5C 1.418(2) . ?
C4C C10C 1.523(3) . ?
C4D C5D 1.410(3) . ?
C4D C10D 1.531(3) . ?
C5C H5C 0.9500 . ?
C5D H5D 0.9500 . ?
C6C C7C 1.368(3) . ?
C6C H6C 0.9500 . ?
C6D C7D 1.364(2) . ?
C6D H6D 0.9500 . ?
C7C C8C 1.412(3) . ?
C7C H7C 0.9500 . ?
C7D C8D 1.417(3) . ?
C7D H7D 0.9500 . ?
C8C C9C 1.371(3) . ?
C8C H8C 0.9500 . ?
C8D C9D 1.367(3) . ?
C8D H8D 0.9500 . ?
C9C H9C 0.9500 . ?
C9D H9D 0.9500 . ?
C10C C12C 1.536(3) . ?
C10C C13C 1.536(3) . ?
C10C C11C 1.540(3) . ?
C10D C11D 1.532(3) . ?
C10D C12D 1.534(3) . ?
C10D C13D 1.553(3) . ?
C11C H11G 0.9800 . ?
C11C H11H 0.9800 . ?
C11C H11I 0.9800 . ?
C11D H11J 0.9800 . ?
C11D H11K 0.9800 . ?
C11D H11L 0.9800 . ?
C12C H12G 0.9800 . ?
C12C H12H 0.9800 . ?
C12C H12I 0.9800 . ?
C12D H12J 0.9800 . ?
C12D H12K 0.9800 . ?
C12D H12L 0.9800 . ?
C13C H13G 0.9800 . ?
C13C H13H 0.9800 . ?
C13C H13I 0.9800 . ?
C13D H13J 0.9800 . ?
C13D H13K 0.9800 . ?
C13D H13L 0.9800 . ?

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
Cl12 Zr1 Cl11 94.456(18) . . ?
Cl12 Zr1 C3B 131.58(4) . . ?
Cl11 Zr1 C3B 107.95(4) . . ?
Cl12 Zr1 C5A 98.43(5) . . ?
Cl11 Zr1 C5A 79.63(4) . . ?
C3B Zr1 C5A 127.03(6) . . ?
Cl12 Zr1 C1A 131.17(5) . . ?
Cl11 Zr1 C1A 85.45(5) . . ?
C3B Zr1 C1A 93.79(6) . . ?
C5A Zr1 C1A 33.44(6) . . ?
Cl12 Zr1 C2B 102.91(4) . . ?
Cl11 Zr1 C2B 135.42(4) . . ?
C3B Zr1 C2B 33.47(5) . . ?
C5A Zr1 C2B 135.92(6) . . ?
C1A Zr1 C2B 110.97(6) . . ?
Cl12 Zr1 C3A 96.18(5) . . ?
Cl11 Zr1 C3A 133.38(5) . . ?
C3B Zr1 C3A 98.12(6) . . ?
C5A Zr1 C3A 53.95(6) . . ?
C1A Zr1 C3A 54.26(6) . . ?
C2B Zr1 C3A 85.51(6) . . ?
Cl12 Zr1 C5B 85.88(4) . . ?
Cl11 Zr1 C5B 87.48(4) . . ?
C3B Zr1 C5B 54.05(6) . . ?
C5A Zr1 C5B 166.66(6) . . ?
C1A Zr1 C5B 142.68(6) . . ?
C2B Zr1 C5B 53.93(5) . . ?
C3A Zr1 C5B 138.45(6) . . ?
Cl12 Zr1 C2A 128.29(5) . . ?
Cl11 Zr1 C2A 117.52(5) . . ?
C3B Zr1 C2A 78.12(6) . . ?
C5A Zr1 C2A 54.24(6) . . ?
C1A Zr1 C2A 32.74(6) . . ?
C2B Zr1 C2A 82.54(6) . . ?
C3A Zr1 C2A 32.30(6) . . ?
C5B Zr1 C2A 131.52(6) . . ?
Cl12 Zr1 C4B 117.41(4) . . ?
Cl11 Zr1 C4B 81.65(4) . . ?
C3B Zr1 C4B 32.53(5) . . ?
C5A Zr1 C4B 140.58(6) . . ?
C1A Zr1 C4B 110.89(6) . . ?
C2B Zr1 C4B 53.87(5) . . ?
C3A Zr1 C4B 130.64(6) . . ?
C5B Zr1 C4B 31.79(5) . . ?
C2A Zr1 C4B 107.17(6) . . ?
Cl12 Zr1 C1B 77.40(4) . . ?
Cl11 Zr1 C1B 118.81(4) . . ?
C3B Zr1 C1B 54.18(5) . . ?
C5A Zr1 C1B 161.15(6) . . ?
C1A Zr1 C1B 143.29(6) . . ?
C2B Zr1 C1B 32.38(5) . . ?
C3A Zr1 C1B 107.80(6) . . ?
C5B Zr1 C1B 32.17(5) . . ?
C2A Zr1 C1B 114.00(6) . . ?
C4B Zr1 C1B 52.88(5) . . ?
Cl12 Zr1 C4A 80.47(4) . . ?
Cl11 Zr1 C4A 107.06(4) . . ?
C3B Zr1 C4A 128.87(6) . . ?
C5A Zr1 C4A 31.86(6) . . ?
C1A Zr1 C4A 53.55(6) . . ?
C2B Zr1 C4A 116.07(6) . . ?
C3A Zr1 C4A 31.98(6) . . ?
C5B Zr1 C4A 160.68(6) . . ?
C2A Zr1 C4A 52.85(6) . . ?
C4B Zr1 C4A 160.01(6) . . ?
C1B Zr1 C4A 130.01(6) . . ?
C9A C1A C2A 119.53(18) . . ?
C9A C1A C5A 133.00(19) . . ?
C2A C1A C5A 107.46(17) . . ?
C9A C1A Zr1 117.09(12) . . ?
C2A C1A Zr1 76.61(10) . . ?
C5A C1A Zr1 73.19(10) . . ?
C9B C1B C2B 120.02(16) . . ?
C9B C1B C5B 132.68(16) . . ?
C2B C1B C5B 107.29(15) . . ?
C9B C1B Zr1 122.34(12) . . ?
C2B C1B Zr1 70.81(9) . . ?
C5B C1B Zr1 72.26(9) . . ?
C6A C2A C3A 132.63(19) . . ?
C6A C2A C1A 120.03(19) . . ?
C3A C2A C1A 107.15(16) . . ?
C6A C2A Zr1 125.67(12) . . ?
C3A C2A Zr1 72.46(10) . . ?
C1A C2A Zr1 70.65(10) . . ?
C6B C2B C1B 119.72(16) . . ?
C6B C2B C3B 133.06(16) . . ?
C1B C2B C3B 107.18(15) . . ?
C6B C2B Zr1 120.11(12) . . ?
C1B C2B Zr1 76.80(10) . . ?
C3B C2B Zr1 70.68(9) . . ?
C4A C3A C2A 108.56(17) . . ?
C4A C3A Zr1 76.91(10) . . ?
C2A C3A Zr1 75.24(10) . . ?
C4A C3A H3A 125.7 . . ?
C2A C3A H3A 125.7 . . ?
Zr1 C3A H3A 114.3 . . ?
C4B C3B C2B 108.46(15) . . ?
C4B C3B Zr1 78.70(10) . . ?
C2B C3B Zr1 75.85(9) . . ?
C4B C3B H3B 125.8 . . ?
C2B C3B H3B 125.8 . . ?
Zr1 C3B H3B 112.1 . . ?
C5A C4A C3A 107.71(16) . . ?
C5A C4A C10A 125.76(17) . . ?
C3A C4A C10A 125.41(17) . . ?
C5A C4A Zr1 69.42(10) . . ?
C3A C4A Zr1 71.11(10) . . ?
C10A C4A Zr1 134.32(13) . . ?
C5B C4B C3B 107.61(15) . . ?
C5B C4B C10B 126.58(16) . . ?
C3B C4B C10B 124.80(16) . . ?
C5B C4B Zr1 73.12(10) . . ?
C3B C4B Zr1 68.77(9) . . ?
C10B C4B Zr1 132.36(11) . . ?
C4A C5A C1A 108.34(17) . . ?
C4A C5A Zr1 78.72(10) . . ?
C1A C5A Zr1 73.37(10) . . ?
C4A C5A H5A 125.8 . . ?
C1A C5A H5A 125.8 . . ?
Zr1 C5A H5A 114.3 . . ?
C4B C5B C1B 108.80(15) . . ?
C4B C5B Zr1 75.09(10) . . ?
C1B C5B Zr1 75.56(10) . . ?
C4B C5B H5B 125.6 . . ?
C1B C5B H5B 125.6 . . ?
Zr1 C5B H5B 115.8 . . ?
C7A C6A C2A 118.4(2) . . ?
C7A C6A H6A 120.8 . . ?
C2A C6A H6A 120.8 . . ?
C7B C6B C2B 118.62(17) . . ?
C7B C6B H6B 120.7 . . ?
C2B C6B H6B 120.7 . . ?
C6A C7A C8A 121.5(2) . . ?
C6A C7A H7A 119.2 . . ?
C8A C7A H7A 119.2 . . ?
C6B C7B C8B 121.55(17) . . ?
C6B C7B H7B 119.2 . . ?
C8B C7B H7B 119.2 . . ?
C9A C8A C7A 121.9(2) . . ?
C9A C8A H8A 119.0 . . ?
C7A C8A H8A 119.0 . . ?
C9B C8B C7B 121.59(17) . . ?
C9B C8B H8B 119.2 . . ?
C7B C8B H8B 119.2 . . ?
C8A C9A C1A 118.2(2) . . ?
C8A C9A H9A 120.9 . . ?
C1A C9A H9A 120.9 . . ?
C8B C9B C1B 118.45(17) . . ?
C8B C9B H9B 120.8 . . ?
C1B C9B H9B 120.8 . . ?
C4A C10A C11A 112.72(16) . . ?
C4A C10A C12A 112.37(17) . . ?
C11A C10A C12A 110.61(18) . . ?
C4A C10A C13A 104.29(17) . . ?
C11A C10A C13A 108.22(17) . . ?
C12A C10A C13A 108.28(17) . . ?
C4B C10B C13B 111.94(15) . . ?
C4B C10B C11B 113.12(15) . . ?
C13B C10B C11B 109.93(15) . . ?
C4B C10B C12B 104.64(14) . . ?
C13B C10B C12B 108.46(16) . . ?
C11B C10B C12B 108.48(16) . . ?
C10A C11A H11A 109.5 . . ?
C10A C11A H11B 109.5 . . ?
H11A C11A H11B 109.5 . . ?
C10A C11A H11C 109.5 . . ?
H11A C11A H11C 109.5 . . ?
H11B C11A H11C 109.5 . . ?
C10B C11B H11D 109.5 . . ?
C10B C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
C10B C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C10A C12A H12A 109.5 . . ?
C10A C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C10A C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C10B C12B H12D 109.5 . . ?
C10B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C10B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
C10A C13A H13A 109.5 . . ?
C10A C13A H13B 109.5 . . ?
H13A C13A H13B 109.5 . . ?
C10A C13A H13C 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C10B C13B H13D 109.5 . . ?
C10B C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
C10B C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
Cl21 Zr2 Cl22 94.399(17) . . ?
Cl21 Zr2 C3C 131.42(4) . . ?
Cl22 Zr2 C3C 107.39(4) . . ?
Cl21 Zr2 C5D 98.75(4) . . ?
Cl22 Zr2 C5D 79.31(4) . . ?
C3C Zr2 C5D 127.26(6) . . ?
Cl21 Zr2 C1D 131.18(4) . . ?
Cl22 Zr2 C1D 85.26(4) . . ?
C3C Zr2 C1D 94.25(6) . . ?
C5D Zr2 C1D 33.14(6) . . ?
Cl21 Zr2 C2C 103.66(4) . . ?
Cl22 Zr2 C2C 136.03(4) . . ?
C3C Zr2 C2C 33.57(6) . . ?
C5D Zr2 C2C 134.89(6) . . ?
C1D Zr2 C2C 109.99(6) . . ?
Cl21 Zr2 C3D 96.00(4) . . ?
Cl22 Zr2 C3D 133.02(4) . . ?
C3C Zr2 C3D 99.29(6) . . ?
C5D Zr2 C3D 53.86(6) . . ?
C1D Zr2 C3D 54.31(6) . . ?
C2C Zr2 C3D 84.99(6) . . ?
Cl21 Zr2 C2D 128.46(4) . . ?
Cl22 Zr2 C2D 117.28(4) . . ?
C3C Zr2 C2D 78.81(6) . . ?
C5D Zr2 C2D 54.10(6) . . ?
C1D Zr2 C2D 32.69(5) . . ?
C2C Zr2 C2D 81.56(6) . . ?
C3D Zr2 C2D 32.63(5) . . ?
Cl21 Zr2 C5C 84.27(4) . . ?
Cl22 Zr2 C5C 89.60(4) . . ?
C3C Zr2 C5C 53.96(6) . . ?
C5D Zr2 C5C 168.68(6) . . ?
C1D Zr2 C5C 144.42(6) . . ?
C2C Zr2 C5C 53.69(6) . . ?
C3D Zr2 C5C 136.96(6) . . ?
C2D Zr2 C5C 131.51(6) . . ?
Cl21 Zr2 C4C 115.51(4) . . ?
Cl22 Zr2 C4C 82.29(4) . . ?
C3C Zr2 C4C 32.45(6) . . ?
C5D Zr2 C4C 142.11(6) . . ?
C1D Zr2 C4C 112.79(6) . . ?
C2C Zr2 C4C 53.74(6) . . ?
C3D Zr2 C4C 131.71(6) . . ?
C2D Zr2 C4C 108.56(6) . . ?
C5C Zr2 C4C 31.71(5) . . ?
Cl21 Zr2 C1C 77.44(4) . . ?
Cl22 Zr2 C1C 120.94(4) . . ?
C3C Zr2 C1C 54.04(6) . . ?
C5D Zr2 C1C 159.43(6) . . ?
C1D Zr2 C1C 142.19(6) . . ?
C2C Zr2 C1C 32.20(6) . . ?
C3D Zr2 C1C 106.04(6) . . ?
C2D Zr2 C1C 112.47(6) . . ?
C5C Zr2 C1C 31.89(6) . . ?
C4C Zr2 C1C 52.55(6) . . ?
Cl21 Zr2 C4D 80.63(4) . . ?
Cl22 Zr2 C4D 106.57(4) . . ?
C3C Zr2 C4D 129.82(6) . . ?
C5D Zr2 C4D 31.81(6) . . ?
C1D Zr2 C4D 53.36(6) . . ?
C2C Zr2 C4D 115.67(6) . . ?
C3D Zr2 C4D 31.88(6) . . ?
C2D Zr2 C4D 52.93(5) . . ?
C5C Zr2 C4D 158.58(6) . . ?
C4C Zr2 C4D 161.44(6) . . ?
C1C Zr2 C4D 128.57(6) . . ?
C9C C1C C5C 131.95(17) . . ?
C9C C1C C2C 120.14(17) . . ?
C5C C1C C2C 107.87(16) . . ?
C9C C1C Zr2 123.61(12) . . ?
C5C C1C Zr2 72.86(10) . . ?
C2C C1C Zr2 70.66(10) . . ?
C9D C1D C2D 119.49(16) . . ?
C9D C1D C5D 132.87(17) . . ?
C2D C1D C5D 107.62(15) . . ?
C9D C1D Zr2 118.10(12) . . ?
C2D C1D Zr2 75.87(10) . . ?
C5D C1D Zr2 73.39(10) . . ?
C6C C2C C1C 119.53(17) . . ?
C6C C2C C3C 133.55(17) . . ?
C1C C2C C3C 106.89(16) . . ?
C6C C2C Zr2 120.01(12) . . ?
C1C C2C Zr2 77.15(10) . . ?
C3C C2C Zr2 70.07(10) . . ?
C6D C2D C1D 119.93(16) . . ?
C6D C2D C3D 132.85(17) . . ?
C1D C2D C3D 107.00(15) . . ?
C6D C2D Zr2 125.24(12) . . ?
C1D C2D Zr2 71.44(10) . . ?
C3D C2D Zr2 72.36(9) . . ?
C4C C3C C2C 108.45(16) . . ?
C4C C3C Zr2 79.47(11) . . ?
C2C C3C Zr2 76.36(10) . . ?
C4C C3C H3C 125.8 . . ?
C2C C3C H3C 125.8 . . ?
Zr2 C3C H3C 111.0 . . ?
C4D C3D C2D 108.35(16) . . ?
C4D C3D Zr2 77.34(10) . . ?
C2D C3D Zr2 75.02(10) . . ?
C4D C3D H3D 125.8 . . ?
C2D C3D H3D 125.8 . . ?
Zr2 C3D H3D 114.1 . . ?
C5C C4C C3C 107.71(16) . . ?
C5C C4C C10C 126.11(16) . . ?
C3C C4C C10C 125.16(16) . . ?
C5C C4C Zr2 73.73(10) . . ?
C3C C4C Zr2 68.08(10) . . ?
C10C C4C Zr2 132.53(13) . . ?
C5D C4D C3D 107.84(16) . . ?
C5D C4D C10D 125.32(18) . . ?
C3D C4D C10D 125.92(17) . . ?
C5D C4D Zr2 69.86(10) . . ?
C3D C4D Zr2 70.78(10) . . ?
C10D C4D Zr2 133.43(12) . . ?
C4C C5C C1C 108.39(16) . . ?
C4C C5C Zr2 74.56(10) . . ?
C1C C5C Zr2 75.25(10) . . ?
C4C C5C H5C 125.8 . . ?
C1C C5C H5C 125.8 . . ?
Zr2 C5C H5C 116.4 . . ?
C4D C5D C1D 108.45(16) . . ?
C4D C5D Zr2 78.34(10) . . ?
C1D C5D Zr2 73.47(10) . . ?
C4D C5D H5D 125.8 . . ?
C1D C5D H5D 125.8 . . ?
Zr2 C5D H5D 114.6 . . ?
C7C C6C C2C 118.79(19) . . ?
C7C C6C H6C 120.6 . . ?
C2C C6C H6C 120.6 . . ?
C7D C6D C2D 118.60(17) . . ?
C7D C6D H6D 120.7 . . ?
C2D C6D H6D 120.7 . . ?
C6C C7C C8C 121.49(19) . . ?
C6C C7C H7C 119.3 . . ?
C8C C7C H7C 119.3 . . ?
C6D C7D C8D 121.33(17) . . ?
C6D C7D H7D 119.3 . . ?
C8D C7D H7D 119.3 . . ?
C9C C8C C7C 121.66(19) . . ?
C9C C8C H8C 119.2 . . ?
C7C C8C H8C 119.2 . . ?
C9D C8D C7D 121.55(17) . . ?
C9D C8D H8D 119.2 . . ?
C7D C8D H8D 119.2 . . ?
C8C C9C C1C 118.33(19) . . ?
C8C C9C H9C 120.8 . . ?
C1C C9C H9C 120.8 . . ?
C8D C9D C1D 118.85(17) . . ?
C8D C9D H9D 120.6 . . ?
C1D C9D H9D 120.6 . . ?
C4C C10C C12C 112.38(16) . . ?
C4C C10C C13C 112.79(16) . . ?
C12C C10C C13C 109.88(18) . . ?
C4C C10C C11C 104.34(17) . . ?
C12C C10C C11C 108.66(17) . . ?
C13C C10C C11C 108.52(17) . . ?
C4D C10D C11D 112.83(17) . . ?
C4D C10D C12D 112.06(18) . . ?
C11D C10D C12D 110.77(17) . . ?
C4D C10D C13D 104.29(16) . . ?
C11D C10D C13D 108.1(2) . . ?
C12D C10D C13D 108.4(2) . . ?
C10C C11C H11G 109.5 . . ?
C10C C11C H11H 109.5 . . ?
H11G C11C H11H 109.5 . . ?
C10C C11C H11I 109.5 . . ?
H11G C11C H11I 109.5 . . ?
H11H C11C H11I 109.5 . . ?
C10D C11D H11J 109.5 . . ?
C10D C11D H11K 109.5 . . ?
H11J C11D H11K 109.5 . . ?
C10D C11D H11L 109.5 . . ?
H11J C11D H11L 109.5 . . ?
H11K C11D H11L 109.5 . . ?
C10C C12C H12G 109.5 . . ?
C10C C12C H12H 109.5 . . ?
H12G C12C H12H 109.5 . . ?
C10C C12C H12I 109.5 . . ?
H12G C12C H12I 109.5 . . ?
H12H C12C H12I 109.5 . . ?
C10D C12D H12J 109.5 . . ?
C10D C12D H12K 109.5 . . ?
H12J C12D H12K 109.5 . . ?
C10D C12D H12L 109.5 . . ?
H12J C12D H12L 109.5 . . ?
H12K C12D H12L 109.5 . . ?
C10C C13C H13G 109.5 . . ?
C10C C13C H13H 109.5 . . ?
H13G C13C H13H 109.5 . . ?
C10C C13C H13I 109.5 . . ?
H13G C13C H13I 109.5 . . ?
H13H C13C H13I 109.5 . . ?
C10D C13D H13J 109.5 . . ?
C10D C13D H13K 109.5 . . ?
H13J C13D H13K 109.5 . . ?
C10D C13D H13L 109.5 . . ?
H13J C13D H13L 109.5 . . ?
H13K C13D H13L 109.5 . . ?

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
Cl12 Zr1 C1A C9A 144.11(13) . . . . ?
Cl11 Zr1 C1A C9A 52.17(15) . . . . ?
C3B Zr1 C1A C9A -55.57(16) . . . . ?
C5A Zr1 C1A C9A 130.2(2) . . . . ?
C2B Zr1 C1A C9A -85.12(16) . . . . ?
C3A Zr1 C1A C9A -152.84(18) . . . . ?
C5B Zr1 C1A C9A -27.6(2) . . . . ?
C2A Zr1 C1A C9A -116.6(2) . . . . ?
C4B Zr1 C1A C9A -27.09(17) . . . . ?
C1B Zr1 C1A C9A -82.42(18) . . . . ?
C4A Zr1 C1A C9A 167.30(19) . . . . ?
Cl12 Zr1 C1A C2A -99.32(11) . . . . ?
Cl11 Zr1 C1A C2A 168.74(11) . . . . ?
C3B Zr1 C1A C2A 61.00(11) . . . . ?
C5A Zr1 C1A C2A -113.21(16) . . . . ?
C2B Zr1 C1A C2A 31.45(12) . . . . ?
C3A Zr1 C1A C2A -36.27(11) . . . . ?
C5B Zr1 C1A C2A 88.95(14) . . . . ?
C4B Zr1 C1A C2A 89.48(11) . . . . ?
C1B Zr1 C1A C2A 34.15(16) . . . . ?
C4A Zr1 C1A C2A -76.13(12) . . . . ?
Cl12 Zr1 C1A C5A 13.89(13) . . . . ?
Cl11 Zr1 C1A C5A -78.05(11) . . . . ?
C3B Zr1 C1A C5A 174.22(11) . . . . ?
C2B Zr1 C1A C5A 144.67(11) . . . . ?
C3A Zr1 C1A C5A 76.94(12) . . . . ?
C5B Zr1 C1A C5A -157.84(10) . . . . ?
C2A Zr1 C1A C5A 113.21(16) . . . . ?
C4B Zr1 C1A C5A -157.31(10) . . . . ?
C1B Zr1 C1A C5A 147.36(11) . . . . ?
C4A Zr1 C1A C5A 37.08(10) . . . . ?
Cl12 Zr1 C1B C9B 27.25(14) . . . . ?
Cl11 Zr1 C1B C9B 115.42(14) . . . . ?
C3B Zr1 C1B C9B -152.47(17) . . . . ?
C5A Zr1 C1B C9B -51.8(3) . . . . ?
C1A Zr1 C1B C9B -118.70(15) . . . . ?
C2B Zr1 C1B C9B -114.00(18) . . . . ?
C3A Zr1 C1B C9B -65.27(15) . . . . ?
C5B Zr1 C1B C9B 129.79(19) . . . . ?
C2A Zr1 C1B C9B -99.29(15) . . . . ?
C4B Zr1 C1B C9B 166.79(17) . . . . ?
C4A Zr1 C1B C9B -38.60(17) . . . . ?
Cl12 Zr1 C1B C2B 141.25(10) . . . . ?
Cl11 Zr1 C1B C2B -130.59(9) . . . . ?
C3B Zr1 C1B C2B -38.48(10) . . . . ?
C5A Zr1 C1B C2B 62.2(2) . . . . ?
C1A Zr1 C1B C2B -4.70(15) . . . . ?
C3A Zr1 C1B C2B 48.73(11) . . . . ?
C5B Zr1 C1B C2B -116.22(14) . . . . ?
C2A Zr1 C1B C2B 14.71(12) . . . . ?
C4B Zr1 C1B C2B -79.22(11) . . . . ?
C4A Zr1 C1B C2B 75.40(12) . . . . ?
Cl12 Zr1 C1B C5B -102.53(10) . . . . ?
Cl11 Zr1 C1B C5B -14.37(11) . . . . ?
C3B Zr1 C1B C5B 77.74(11) . . . . ?
C5A Zr1 C1B C5B 178.39(16) . . . . ?
C1A Zr1 C1B C5B 111.51(12) . . . . ?
C2B Zr1 C1B C5B 116.22(14) . . . . ?
C3A Zr1 C1B C5B 164.94(10) . . . . ?
C2A Zr1 C1B C5B 130.92(10) . . . . ?
C4B Zr1 C1B C5B 37.00(10) . . . . ?
C4A Zr1 C1B C5B -168.39(10) . . . . ?
C9A C1A C2A C6A -7.0(3) . . . . ?
C5A C1A C2A C6A 172.02(16) . . . . ?
Zr1 C1A C2A C6A -120.73(16) . . . . ?
C9A C1A C2A C3A 177.50(16) . . . . ?
C5A C1A C2A C3A -3.5(2) . . . . ?
Zr1 C1A C2A C3A 63.72(12) . . . . ?
C9A C1A C2A Zr1 113.77(16) . . . . ?
C5A C1A C2A Zr1 -67.26(12) . . . . ?
Cl12 Zr1 C2A C6A -137.53(16) . . . . ?
Cl11 Zr1 C2A C6A 100.95(17) . . . . ?
C3B Zr1 C2A C6A -3.27(17) . . . . ?
C5A Zr1 C2A C6A 152.2(2) . . . . ?
C1A Zr1 C2A C6A 113.6(2) . . . . ?
C2B Zr1 C2A C6A -36.94(18) . . . . ?
C3A Zr1 C2A C6A -130.4(2) . . . . ?
C5B Zr1 C2A C6A -12.3(2) . . . . ?
C4B Zr1 C2A C6A 11.54(19) . . . . ?
C1B Zr1 C2A C6A -44.82(19) . . . . ?
C4A Zr1 C2A C6A -167.9(2) . . . . ?
Cl12 Zr1 C2A C3A -7.18(13) . . . . ?
Cl11 Zr1 C2A C3A -128.70(10) . . . . ?
C3B Zr1 C2A C3A 127.09(11) . . . . ?
C5A Zr1 C2A C3A -77.41(12) . . . . ?
C1A Zr1 C2A C3A -116.02(16) . . . . ?
C2B Zr1 C2A C3A 93.41(11) . . . . ?
C5B Zr1 C2A C3A 118.03(11) . . . . ?
C4B Zr1 C2A C3A 141.89(10) . . . . ?
C1B Zr1 C2A C3A 85.53(11) . . . . ?
C4A Zr1 C2A C3A -37.54(10) . . . . ?
Cl12 Zr1 C2A C1A 108.85(11) . . . . ?
Cl11 Zr1 C2A C1A -12.68(12) . . . . ?
C3B Zr1 C2A C1A -116.89(12) . . . . ?
C5A Zr1 C2A C1A 38.62(11) . . . . ?
C2B Zr1 C2A C1A -150.57(12) . . . . ?
C3A Zr1 C2A C1A 116.02(16) . . . . ?
C5B Zr1 C2A C1A -125.94(11) . . . . ?
C4B Zr1 C2A C1A -102.08(11) . . . . ?
C1B Zr1 C2A C1A -158.45(10) . . . . ?
C4A Zr1 C2A C1A 78.49(12) . . . . ?
C9B C1B C2B C6B -0.4(2) . . . . ?
C5B C1B C2B C6B 179.15(15) . . . . ?
Zr1 C1B C2B C6B -117.35(16) . . . . ?
C9B C1B C2B C3B -178.41(15) . . . . ?
C5B C1B C2B C3B 1.15(18) . . . . ?
Zr1 C1B C2B C3B 64.65(11) . . . . ?
C9B C1B C2B Zr1 116.94(15) . . . . ?
C5B C1B C2B Zr1 -63.50(12) . . . . ?
Cl12 Zr1 C2B C6B 78.11(14) . . . . ?
Cl11 Zr1 C2B C6B -171.64(11) . . . . ?
C3B Zr1 C2B C6B -129.28(19) . . . . ?
C5A Zr1 C2B C6B -38.83(17) . . . . ?
C1A Zr1 C2B C6B -66.10(15) . . . . ?
C3A Zr1 C2B C6B -17.22(14) . . . . ?
C5B Zr1 C2B C6B 153.14(16) . . . . ?
C2A Zr1 C2B C6B -49.56(14) . . . . ?
C4B Zr1 C2B C6B -167.23(16) . . . . ?
C1B Zr1 C2B C6B 116.91(18) . . . . ?
C4A Zr1 C2B C6B -7.48(16) . . . . ?
Cl12 Zr1 C2B C1B -38.80(10) . . . . ?
Cl11 Zr1 C2B C1B 71.45(11) . . . . ?
C3B Zr1 C2B C1B 113.81(14) . . . . ?
C5A Zr1 C2B C1B -155.74(10) . . . . ?
C1A Zr1 C2B C1B 176.99(10) . . . . ?
C3A Zr1 C2B C1B -134.12(10) . . . . ?
C5B Zr1 C2B C1B 36.23(9) . . . . ?
C2A Zr1 C2B C1B -166.47(11) . . . . ?
C4B Zr1 C2B C1B 75.86(10) . . . . ?
C4A Zr1 C2B C1B -124.39(10) . . . . ?
Cl12 Zr1 C2B C3B -152.62(9) . . . . ?
Cl11 Zr1 C2B C3B -42.36(12) . . . . ?
C5A Zr1 C2B C3B 90.44(12) . . . . ?
C1A Zr1 C2B C3B 63.18(11) . . . . ?
C3A Zr1 C2B C3B 112.06(10) . . . . ?
C5B Zr1 C2B C3B -77.58(10) . . . . ?
C2A Zr1 C2B C3B 79.71(10) . . . . ?
C4B Zr1 C2B C3B -37.95(9) . . . . ?
C1B Zr1 C2B C3B -113.81(14) . . . . ?
C4A Zr1 C2B C3B 121.80(10) . . . . ?
C6A C2A C3A C4A -166.90(19) . . . . ?
C1A C2A C3A C4A 7.9(2) . . . . ?
Zr1 C2A C3A C4A 70.39(13) . . . . ?
C6A C2A C3A Zr1 122.7(2) . . . . ?
C1A C2A C3A Zr1 -62.53(12) . . . . ?
Cl12 Zr1 C3A C4A 60.81(11) . . . . ?
Cl11 Zr1 C3A C4A -41.30(14) . . . . ?
C3B Zr1 C3A C4A -165.58(11) . . . . ?
C5A Zr1 C3A C4A -35.14(11) . . . . ?
C1A Zr1 C3A C4A -76.74(12) . . . . ?
C2B Zr1 C3A C4A 163.34(12) . . . . ?
C5B Zr1 C3A C4A 151.56(11) . . . . ?
C2A Zr1 C3A C4A -113.53(16) . . . . ?
C4B Zr1 C3A C4A -164.52(10) . . . . ?
C1B Zr1 C3A C4A 139.52(11) . . . . ?
Cl12 Zr1 C3A C2A 174.34(10) . . . . ?
Cl11 Zr1 C3A C2A 72.23(12) . . . . ?
C3B Zr1 C3A C2A -52.05(11) . . . . ?
C5A Zr1 C3A C2A 78.39(12) . . . . ?
C1A Zr1 C3A C2A 36.79(10) . . . . ?
C2B Zr1 C3A C2A -83.13(11) . . . . ?
C5B Zr1 C3A C2A -94.91(13) . . . . ?
C4B Zr1 C3A C2A -50.99(13) . . . . ?
C1B Zr1 C3A C2A -106.95(11) . . . . ?
C4A Zr1 C3A C2A 113.53(16) . . . . ?
C6B C2B C3B C4B -173.72(18) . . . . ?
C1B C2B C3B C4B 3.90(19) . . . . ?
Zr1 C2B C3B C4B 72.71(12) . . . . ?
C6B C2B C3B Zr1 113.6(2) . . . . ?
C1B C2B C3B Zr1 -68.80(12) . . . . ?
Cl12 Zr1 C3B C4B -75.72(11) . . . . ?
Cl11 Zr1 C3B C4B 37.65(10) . . . . ?
C5A Zr1 C3B C4B 128.07(10) . . . . ?
C1A Zr1 C3B C4B 124.09(10) . . . . ?
C2B Zr1 C3B C4B -112.54(14) . . . . ?
C3A Zr1 C3B C4B 178.50(10) . . . . ?
C5B Zr1 C3B C4B -35.37(9) . . . . ?
C2A Zr1 C3B C4B 153.00(11) . . . . ?
C1B Zr1 C3B C4B -75.37(11) . . . . ?
C4A Zr1 C3B C4B 168.75(9) . . . . ?
Cl12 Zr1 C3B C2B 36.82(12) . . . . ?
Cl11 Zr1 C3B C2B 150.19(9) . . . . ?
C5A Zr1 C3B C2B -119.38(10) . . . . ?
C1A Zr1 C3B C2B -123.37(10) . . . . ?
C3A Zr1 C3B C2B -68.95(10) . . . . ?
C5B Zr1 C3B C2B 77.17(10) . . . . ?
C2A Zr1 C3B C2B -94.46(10) . . . . ?
C4B Zr1 C3B C2B 112.54(14) . . . . ?
C1B Zr1 C3B C2B 37.18(9) . . . . ?
C4A Zr1 C3B C2B -78.71(12) . . . . ?
C2A C3A C4A C5A -9.2(2) . . . . ?
Zr1 C3A C4A C5A 60.05(13) . . . . ?
C2A C3A C4A C10A 159.21(18) . . . . ?
Zr1 C3A C4A C10A -131.52(18) . . . . ?
C2A C3A C4A Zr1 -69.27(12) . . . . ?
Cl12 Zr1 C4A C5A 123.50(11) . . . . ?
Cl11 Zr1 C4A C5A 31.73(11) . . . . ?
C3B Zr1 C4A C5A -99.69(12) . . . . ?
C1A Zr1 C4A C5A -39.01(11) . . . . ?
C2B Zr1 C4A C5A -136.71(11) . . . . ?
C3A Zr1 C4A C5A -118.16(17) . . . . ?
C5B Zr1 C4A C5A 169.14(15) . . . . ?
C2A Zr1 C4A C5A -80.22(12) . . . . ?
C4B Zr1 C4A C5A -81.8(2) . . . . ?
C1B Zr1 C4A C5A -171.95(10) . . . . ?
Cl12 Zr1 C4A C3A -118.35(11) . . . . ?
Cl11 Zr1 C4A C3A 149.88(10) . . . . ?
C3B Zr1 C4A C3A 18.46(14) . . . . ?
C5A Zr1 C4A C3A 118.16(17) . . . . ?
C1A Zr1 C4A C3A 79.14(12) . . . . ?
C2B Zr1 C4A C3A -18.56(13) . . . . ?
C5B Zr1 C4A C3A -72.7(2) . . . . ?
C2A Zr1 C4A C3A 37.93(11) . . . . ?
C4B Zr1 C4A C3A 36.3(2) . . . . ?
C1B Zr1 C4A C3A -53.79(14) . . . . ?
Cl12 Zr1 C4A C10A 3.11(17) . . . . ?
Cl11 Zr1 C4A C10A -88.66(18) . . . . ?
C3B Zr1 C4A C10A 139.92(17) . . . . ?
C5A Zr1 C4A C10A -120.4(2) . . . . ?
C1A Zr1 C4A C10A -159.4(2) . . . . ?
C2B Zr1 C4A C10A 102.90(18) . . . . ?
C3A Zr1 C4A C10A 121.5(2) . . . . ?
C5B Zr1 C4A C10A 48.8(3) . . . . ?
C2A Zr1 C4A C10A 159.4(2) . . . . ?
C4B Zr1 C4A C10A 157.79(16) . . . . ?
C1B Zr1 C4A C10A 67.7(2) . . . . ?
C2B C3B C4B C5B -7.51(19) . . . . ?
Zr1 C3B C4B C5B 63.25(12) . . . . ?
C2B C3B C4B C10B 161.63(16) . . . . ?
Zr1 C3B C4B C10B -127.61(16) . . . . ?
C2B C3B C4B Zr1 -70.76(11) . . . . ?
Cl12 Zr1 C4B C5B 8.06(11) . . . . ?
Cl11 Zr1 C4B C5B 98.76(10) . . . . ?
C3B Zr1 C4B C5B -117.20(15) . . . . ?
C5A Zr1 C4B C5B 161.05(10) . . . . ?
C1A Zr1 C4B C5B -179.39(10) . . . . ?
C2B Zr1 C4B C5B -78.11(11) . . . . ?
C3A Zr1 C4B C5B -119.15(11) . . . . ?
C2A Zr1 C4B C5B -144.91(10) . . . . ?
C1B Zr1 C4B C5B -37.46(10) . . . . ?
C4A Zr1 C4B C5B -143.59(16) . . . . ?
Cl12 Zr1 C4B C3B 125.26(9) . . . . ?
Cl11 Zr1 C4B C3B -144.03(10) . . . . ?
C5A Zr1 C4B C3B -81.75(13) . . . . ?
C1A Zr1 C4B C3B -62.19(11) . . . . ?
C2B Zr1 C4B C3B 39.09(10) . . . . ?
C3A Zr1 C4B C3B -1.95(13) . . . . ?
C5B Zr1 C4B C3B 117.20(15) . . . . ?
C2A Zr1 C4B C3B -27.71(11) . . . . ?
C1B Zr1 C4B C3B 79.74(11) . . . . ?
C4A Zr1 C4B C3B -26.4(2) . . . . ?
Cl12 Zr1 C4B C10B -116.43(15) . . . . ?
Cl11 Zr1 C4B C10B -25.72(15) . . . . ?
C3B Zr1 C4B C10B 118.3(2) . . . . ?
C5A Zr1 C4B C10B 36.6(2) . . . . ?
C1A Zr1 C4B C10B 56.12(17) . . . . ?
C2B Zr1 C4B C10B 157.41(18) . . . . ?
C3A Zr1 C4B C10B 116.36(16) . . . . ?
C5B Zr1 C4B C10B -124.5(2) . . . . ?
C2A Zr1 C4B C10B 90.60(16) . . . . ?
C1B Zr1 C4B C10B -161.95(19) . . . . ?
C4A Zr1 C4B C10B 91.9(2) . . . . ?
C3A C4A C5A C1A 6.9(2) . . . . ?
C10A C4A C5A C1A -161.44(17) . . . . ?
Zr1 C4A C5A C1A 68.07(12) . . . . ?
C3A C4A C5A Zr1 -61.13(13) . . . . ?
C10A C4A C5A Zr1 130.49(18) . . . . ?
C9A C1A C5A C4A 176.66(19) . . . . ?
C2A C1A C5A C4A -2.1(2) . . . . ?
Zr1 C1A C5A C4A -71.70(13) . . . . ?
C9A C1A C5A Zr1 -111.6(2) . . . . ?
C2A C1A C5A Zr1 69.59(12) . . . . ?
Cl12 Zr1 C5A C4A -56.24(11) . . . . ?
Cl11 Zr1 C5A C4A -149.27(11) . . . . ?
C3B Zr1 C5A C4A 105.99(11) . . . . ?
C1A Zr1 C5A C4A 113.23(16) . . . . ?
C2B Zr1 C5A C4A 62.30(14) . . . . ?
C3A Zr1 C5A C4A 35.28(11) . . . . ?
C5B Zr1 C5A C4A -164.3(2) . . . . ?
C2A Zr1 C5A C4A 75.45(12) . . . . ?
C4B Zr1 C5A C4A 147.81(10) . . . . ?
C1B Zr1 C5A C4A 19.4(2) . . . . ?
Cl12 Zr1 C5A C1A -169.47(10) . . . . ?
Cl11 Zr1 C5A C1A 97.51(11) . . . . ?
C3B Zr1 C5A C1A -7.23(14) . . . . ?
C2B Zr1 C5A C1A -50.93(14) . . . . ?
C3A Zr1 C5A C1A -77.95(12) . . . . ?
C5B Zr1 C5A C1A 82.4(3) . . . . ?
C2A Zr1 C5A C1A -37.78(11) . . . . ?
C4B Zr1 C5A C1A 34.58(15) . . . . ?
C1B Zr1 C5A C1A -93.8(2) . . . . ?
C4A Zr1 C5A C1A -113.23(16) . . . . ?
C3B C4B C5B C1B 8.26(19) . . . . ?
C10B C4B C5B C1B -160.64(16) . . . . ?
Zr1 C4B C5B C1B 68.70(12) . . . . ?
C3B C4B C5B Zr1 -60.44(12) . . . . ?
C10B C4B C5B Zr1 130.66(17) . . . . ?
C9B C1B C5B C4B 173.65(18) . . . . ?
C2B C1B C5B C4B -5.83(19) . . . . ?
Zr1 C1B C5B C4B -68.38(12) . . . . ?
C9B C1B C5B Zr1 -118.0(2) . . . . ?
C2B C1B C5B Zr1 62.55(11) . . . . ?
Cl12 Zr1 C5B C4B -172.83(10) . . . . ?
Cl11 Zr1 C5B C4B -78.18(10) . . . . ?
C3B Zr1 C5B C4B 36.22(10) . . . . ?
C5A Zr1 C5B C4B -63.4(3) . . . . ?
C1A Zr1 C5B C4B 0.94(15) . . . . ?
C2B Zr1 C5B C4B 77.92(11) . . . . ?
C3A Zr1 C5B C4B 92.50(12) . . . . ?
C2A Zr1 C5B C4B 47.18(13) . . . . ?
C1B Zr1 C5B C4B 114.39(15) . . . . ?
C4A Zr1 C5B C4B 142.17(16) . . . . ?
Cl12 Zr1 C5B C1B 72.77(10) . . . . ?
Cl11 Zr1 C5B C1B 167.43(10) . . . . ?
C3B Zr1 C5B C1B -78.18(11) . . . . ?
C5A Zr1 C5B C1B -177.7(2) . . . . ?
C1A Zr1 C5B C1B -113.46(12) . . . . ?
C2B Zr1 C5B C1B -36.47(9) . . . . ?
C3A Zr1 C5B C1B -21.89(14) . . . . ?
C2A Zr1 C5B C1B -67.22(13) . . . . ?
C4B Zr1 C5B C1B -114.39(15) . . . . ?
C4A Zr1 C5B C1B 27.8(2) . . . . ?
C3A C2A C6A C7A 176.56(19) . . . . ?
C1A C2A C6A C7A 2.3(3) . . . . ?
Zr1 C2A C6A C7A -84.4(2) . . . . ?
C1B C2B C6B C7B -1.5(3) . . . . ?
C3B C2B C6B C7B 175.86(18) . . . . ?
Zr1 C2B C6B C7B -93.08(18) . . . . ?
C2A C6A C7A C8A 2.2(3) . . . . ?
C2B C6B C7B C8B 2.2(3) . . . . ?
C6A C7A C8A C9A -2.1(3) . . . . ?
C6B C7B C8B C9B -1.0(3) . . . . ?
C7A C8A C9A C1A -2.5(3) . . . . ?
C2A C1A C9A C8A 6.9(3) . . . . ?
C5A C1A C9A C8A -171.73(19) . . . . ?
Zr1 C1A C9A C8A 96.40(19) . . . . ?
C7B C8B C9B C1B -1.0(3) . . . . ?
C2B C1B C9B C8B 1.7(3) . . . . ?
C5B C1B C9B C8B -177.77(18) . . . . ?
Zr1 C1B C9B C8B 86.87(19) . . . . ?
C5A C4A C10A C11A -35.5(3) . . . . ?
C3A C4A C10A C11A 158.08(19) . . . . ?
Zr1 C4A C10A C11A 60.1(2) . . . . ?
C5A C4A C10A C12A -161.33(18) . . . . ?
C3A C4A C10A C12A 32.3(3) . . . . ?
Zr1 C4A C10A C12A -65.7(2) . . . . ?
C5A C4A C10A C13A 81.6(2) . . . . ?
C3A C4A C10A C13A -84.8(2) . . . . ?
Zr1 C4A C10A C13A 177.23(15) . . . . ?
C5B C4B C10B C13B -21.1(2) . . . . ?
C3B C4B C10B C13B 171.77(16) . . . . ?
Zr1 C4B C10B C13B 79.65(19) . . . . ?
C5B C4B C10B C11B -146.00(18) . . . . ?
C3B C4B C10B C11B 46.9(2) . . . . ?
Zr1 C4B C10B C11B -45.2(2) . . . . ?
C5B C4B C10B C12B 96.1(2) . . . . ?
C3B C4B C10B C12B -71.0(2) . . . . ?
Zr1 C4B C10B C12B -163.09(14) . . . . ?
Cl21 Zr2 C1C C9C 29.95(15) . . . . ?
Cl22 Zr2 C1C C9C 117.55(15) . . . . ?
C3C Zr2 C1C C9C -152.71(18) . . . . ?
C5D Zr2 C1C C9C -51.4(3) . . . . ?
C1D Zr2 C1C C9C -114.47(16) . . . . ?
C2C Zr2 C1C C9C -113.9(2) . . . . ?
C3D Zr2 C1C C9C -62.77(17) . . . . ?
C2D Zr2 C1C C9C -96.73(16) . . . . ?
C5C Zr2 C1C C9C 129.4(2) . . . . ?
C4C Zr2 C1C C9C 166.54(19) . . . . ?
C4D Zr2 C1C C9C -37.03(18) . . . . ?
Cl21 Zr2 C1C C5C -99.46(10) . . . . ?
Cl22 Zr2 C1C C5C -11.86(11) . . . . ?
C3C Zr2 C1C C5C 77.88(11) . . . . ?
C5D Zr2 C1C C5C 179.15(14) . . . . ?
C1D Zr2 C1C C5C 116.11(12) . . . . ?
C2C Zr2 C1C C5C 116.66(15) . . . . ?
C3D Zr2 C1C C5C 167.82(10) . . . . ?
C2D Zr2 C1C C5C 133.85(10) . . . . ?
C4C Zr2 C1C C5C 37.13(10) . . . . ?
C4D Zr2 C1C C5C -166.45(10) . . . . ?
Cl21 Zr2 C1C C2C 143.88(11) . . . . ?
Cl22 Zr2 C1C C2C -128.52(10) . . . . ?
C3C Zr2 C1C C2C -38.78(10) . . . . ?
C5D Zr2 C1C C2C 62.5(2) . . . . ?
C1D Zr2 C1C C2C -0.54(15) . . . . ?
C3D Zr2 C1C C2C 51.16(11) . . . . ?
C2D Zr2 C1C C2C 17.20(12) . . . . ?
C5C Zr2 C1C C2C -116.66(15) . . . . ?
C4C Zr2 C1C C2C -79.53(11) . . . . ?
C4D Zr2 C1C C2C 76.90(12) . . . . ?
Cl21 Zr2 C1D C9D 144.24(12) . . . . ?
Cl22 Zr2 C1D C9D 52.53(13) . . . . ?
C3C Zr2 C1D C9D -54.59(14) . . . . ?
C5D Zr2 C1D C9D 130.21(19) . . . . ?
C2C Zr2 C1D C9D -85.06(14) . . . . ?
C3D Zr2 C1D C9D -152.98(16) . . . . ?
C2D Zr2 C1D C9D -116.17(18) . . . . ?
C5C Zr2 C1D C9D -30.12(19) . . . . ?
C4C Zr2 C1D C9D -27.05(15) . . . . ?
C1C Zr2 C1D C9D -84.75(16) . . . . ?
C4D Zr2 C1D C9D 167.25(16) . . . . ?
Cl21 Zr2 C1D C2D -99.59(10) . . . . ?
Cl22 Zr2 C1D C2D 168.70(10) . . . . ?
C3C Zr2 C1D C2D 61.57(11) . . . . ?
C5D Zr2 C1D C2D -113.63(15) . . . . ?
C2C Zr2 C1D C2D 31.11(12) . . . . ?
C3D Zr2 C1D C2D -36.81(10) . . . . ?
C5C Zr2 C1D C2D 86.04(13) . . . . ?
C4C Zr2 C1D C2D 89.12(11) . . . . ?
C1C Zr2 C1D C2D 31.42(15) . . . . ?
C4D Zr2 C1D C2D -76.58(11) . . . . ?
Cl21 Zr2 C1D C5D 14.03(12) . . . . ?
Cl22 Zr2 C1D C5D -77.67(10) . . . . ?
C3C Zr2 C1D C5D 175.20(11) . . . . ?
C2C Zr2 C1D C5D 144.74(10) . . . . ?
C3D Zr2 C1D C5D 76.81(11) . . . . ?
C2D Zr2 C1D C5D 113.63(15) . . . . ?
C5C Zr2 C1D C5D -160.33(11) . . . . ?
C4C Zr2 C1D C5D -157.25(10) . . . . ?
C1C Zr2 C1D C5D 145.05(11) . . . . ?
C4D Zr2 C1D C5D 37.05(10) . . . . ?
C9C C1C C2C C6C 0.9(3) . . . . ?
C5C C1C C2C C6C 178.79(16) . . . . ?
Zr2 C1C C2C C6C -117.41(16) . . . . ?
C9C C1C C2C C3C -177.43(16) . . . . ?
C5C C1C C2C C3C 0.43(19) . . . . ?
Zr2 C1C C2C C3C 64.23(12) . . . . ?
C9C C1C C2C Zr2 118.33(16) . . . . ?
C5C C1C C2C Zr2 -63.80(12) . . . . ?
Cl21 Zr2 C2C C6C 80.57(15) . . . . ?
Cl22 Zr2 C2C C6C -167.99(12) . . . . ?
C3C Zr2 C2C C6C -129.6(2) . . . . ?
C5D Zr2 C2C C6C -37.02(18) . . . . ?
C1D Zr2 C2C C6C -63.48(16) . . . . ?
C3D Zr2 C2C C6C -14.41(15) . . . . ?
C2D Zr2 C2C C6C -47.09(15) . . . . ?
C5C Zr2 C2C C6C 152.75(17) . . . . ?
C4C Zr2 C2C C6C -167.62(17) . . . . ?
C1C Zr2 C2C C6C 116.88(19) . . . . ?
C4D Zr2 C2C C6C -5.47(17) . . . . ?
Cl21 Zr2 C2C C1C -36.31(11) . . . . ?
Cl22 Zr2 C2C C1C 75.14(12) . . . . ?
C3C Zr2 C2C C1C 113.56(15) . . . . ?
C5D Zr2 C2C C1C -153.90(10) . . . . ?
C1D Zr2 C2C C1C 179.65(10) . . . . ?
C3D Zr2 C2C C1C -131.28(11) . . . . ?
C2D Zr2 C2C C1C -163.97(11) . . . . ?
C5C Zr2 C2C C1C 35.87(10) . . . . ?
C4C Zr2 C2C C1C 75.50(11) . . . . ?
C4D Zr2 C2C C1C -122.34(11) . . . . ?
Cl21 Zr2 C2C C3C -149.87(9) . . . . ?
Cl22 Zr2 C2C C3C -38.42(12) . . . . ?
C5D Zr2 C2C C3C 92.54(12) . . . . ?
C1D Zr2 C2C C3C 66.09(11) . . . . ?
C3D Zr2 C2C C3C 115.16(11) . . . . ?
C2D Zr2 C2C C3C 82.47(10) . . . . ?
C5C Zr2 C2C C3C -77.69(11) . . . . ?
C4C Zr2 C2C C3C -38.06(10) . . . . ?
C1C Zr2 C2C C3C -113.56(15) . . . . ?
C4D Zr2 C2C C3C 124.10(10) . . . . ?
C9D C1D C2D C6D -6.0(2) . . . . ?
C5D C1D C2D C6D 172.30(15) . . . . ?
Zr2 C1D C2D C6D -120.60(15) . . . . ?
C9D C1D C2D C3D 178.65(15) . . . . ?
C5D C1D C2D C3D -3.01(19) . . . . ?
Zr2 C1D C2D C3D 64.09(12) . . . . ?
C9D C1D C2D Zr2 114.56(16) . . . . ?
C5D C1D C2D Zr2 -67.10(12) . . . . ?
Cl21 Zr2 C2D C6D -137.35(13) . . . . ?
Cl22 Zr2 C2D C6D 101.34(14) . . . . ?
C3C Zr2 C2D C6D -2.60(15) . . . . ?
C5D Zr2 C2D C6D 152.22(17) . . . . ?
C1D Zr2 C2D C6D 114.03(19) . . . . ?
C2C Zr2 C2D C6D -36.57(15) . . . . ?
C3D Zr2 C2D C6D -130.5(2) . . . . ?
C5C Zr2 C2D C6D -15.15(18) . . . . ?
C4C Zr2 C2D C6D 10.54(16) . . . . ?
C1C Zr2 C2D C6D -45.74(16) . . . . ?
C4D Zr2 C2D C6D -167.95(18) . . . . ?
Cl21 Zr2 C2D C1D 108.62(10) . . . . ?
Cl22 Zr2 C2D C1D -12.69(11) . . . . ?
C3C Zr2 C2D C1D -116.62(11) . . . . ?
C5D Zr2 C2D C1D 38.20(10) . . . . ?
C2C Zr2 C2D C1D -150.60(11) . . . . ?
C3D Zr2 C2D C1D 115.50(15) . . . . ?
C5C Zr2 C2D C1D -129.18(10) . . . . ?
C4C Zr2 C2D C1D -103.49(11) . . . . ?
C1C Zr2 C2D C1D -159.76(10) . . . . ?
C4D Zr2 C2D C1D 78.02(11) . . . . ?
Cl21 Zr2 C2D C3D -6.88(12) . . . . ?
Cl22 Zr2 C2D C3D -128.19(10) . . . . ?
C3C Zr2 C2D C3D 127.88(11) . . . . ?
C5D Zr2 C2D C3D -77.30(11) . . . . ?
C1D Zr2 C2D C3D -115.50(15) . . . . ?
C2C Zr2 C2D C3D 93.90(11) . . . . ?
C5C Zr2 C2D C3D 115.32(11) . . . . ?
C4C Zr2 C2D C3D 141.01(10) . . . . ?
C1C Zr2 C2D C3D 84.74(11) . . . . ?
C4D Zr2 C2D C3D -37.48(10) . . . . ?
C6C C2C C3C C4C -173.30(19) . . . . ?
C1C C2C C3C C4C 4.7(2) . . . . ?
Zr2 C2C C3C C4C 73.79(13) . . . . ?
C6C C2C C3C Zr2 112.9(2) . . . . ?
C1C C2C C3C Zr2 -69.06(12) . . . . ?
Cl21 Zr2 C3C C4C -71.53(12) . . . . ?
Cl22 Zr2 C3C C4C 41.02(11) . . . . ?
C5D Zr2 C3C C4C 130.67(11) . . . . ?
C1D Zr2 C3C C4C 127.38(11) . . . . ?
C2C Zr2 C3C C4C -112.10(15) . . . . ?
C3D Zr2 C3C C4C -178.12(11) . . . . ?
C2D Zr2 C3C C4C 156.33(11) . . . . ?
C5C Zr2 C3C C4C -35.28(10) . . . . ?
C1C Zr2 C3C C4C -74.99(11) . . . . ?
C4D Zr2 C3C C4C 171.56(10) . . . . ?
Cl21 Zr2 C3C C2C 40.58(12) . . . . ?
Cl22 Zr2 C3C C2C 153.12(9) . . . . ?
C5D Zr2 C3C C2C -117.23(11) . . . . ?
C1D Zr2 C3C C2C -120.52(10) . . . . ?
C3D Zr2 C3C C2C -66.02(11) . . . . ?
C2D Zr2 C3C C2C -91.56(11) . . . . ?
C5C Zr2 C3C C2C 76.82(11) . . . . ?
C4C Zr2 C3C C2C 112.10(15) . . . . ?
C1C Zr2 C3C C2C 37.11(10) . . . . ?
C4D Zr2 C3C C2C -76.34(12) . . . . ?
C6D C2D C3D C4D -167.07(18) . . . . ?
C1D C2D C3D C4D 7.38(19) . . . . ?
Zr2 C2D C3D C4D 70.86(12) . . . . ?
C6D C2D C3D Zr2 122.1(2) . . . . ?
C1D C2D C3D Zr2 -63.48(12) . . . . ?
Cl21 Zr2 C3D C4D 61.37(10) . . . . ?
Cl22 Zr2 C3D C4D -40.38(12) . . . . ?
C3C Zr2 C3D C4D -164.90(11) . . . . ?
C5D Zr2 C3D C4D -35.09(10) . . . . ?
C1D Zr2 C3D C4D -76.33(11) . . . . ?
C2C Zr2 C3D C4D 164.62(11) . . . . ?
C2D Zr2 C3D C4D -113.22(15) . . . . ?
C5C Zr2 C3D C4D 149.40(10) . . . . ?
C4C Zr2 C3D C4D -166.25(10) . . . . ?
C1C Zr2 C3D C4D 140.00(10) . . . . ?
Cl21 Zr2 C3D C2D 174.59(10) . . . . ?
Cl22 Zr2 C3D C2D 72.84(11) . . . . ?
C3C Zr2 C3D C2D -51.68(11) . . . . ?
C5D Zr2 C3D C2D 78.13(11) . . . . ?
C1D Zr2 C3D C2D 36.89(10) . . . . ?
C2C Zr2 C3D C2D -82.16(11) . . . . ?
C5C Zr2 C3D C2D -97.38(12) . . . . ?
C4C Zr2 C3D C2D -53.03(13) . . . . ?
C1C Zr2 C3D C2D -106.78(10) . . . . ?
C4D Zr2 C3D C2D 113.22(15) . . . . ?
C2C C3C C4C C5C -8.1(2) . . . . ?
Zr2 C3C C4C C5C 63.54(13) . . . . ?
C2C C3C C4C C10C 160.92(17) . . . . ?
Zr2 C3C C4C C10C -127.43(18) . . . . ?
C2C C3C C4C Zr2 -71.65(12) . . . . ?
Cl21 Zr2 C4C C5C 10.66(12) . . . . ?
Cl22 Zr2 C4C C5C 101.87(10) . . . . ?
C3C Zr2 C4C C5C -117.32(16) . . . . ?
C5D Zr2 C4C C5C 163.27(11) . . . . ?
C1D Zr2 C4C C5C -176.60(10) . . . . ?
C2C Zr2 C4C C5C -77.87(11) . . . . ?
C3D Zr2 C4C C5C -114.84(11) . . . . ?
C2D Zr2 C4C C5C -141.87(10) . . . . ?
C1C Zr2 C4C C5C -37.35(10) . . . . ?
C4D Zr2 C4C C5C -138.07(17) . . . . ?
Cl21 Zr2 C4C C3C 127.99(10) . . . . ?
Cl22 Zr2 C4C C3C -140.80(11) . . . . ?
C5D Zr2 C4C C3C -79.41(14) . . . . ?
C1D Zr2 C4C C3C -59.27(12) . . . . ?
C2C Zr2 C4C C3C 39.45(10) . . . . ?
C3D Zr2 C4C C3C 2.48(14) . . . . ?
C2D Zr2 C4C C3C -24.54(12) . . . . ?
C5C Zr2 C4C C3C 117.32(16) . . . . ?
C1C Zr2 C4C C3C 79.98(12) . . . . ?
C4D Zr2 C4C C3C -20.7(2) . . . . ?
Cl21 Zr2 C4C C10C -113.77(16) . . . . ?
Cl22 Zr2 C4C C10C -22.56(16) . . . . ?
C3C Zr2 C4C C10C 118.2(2) . . . . ?
C5D Zr2 C4C C10C 38.8(2) . . . . ?
C1D Zr2 C4C C10C 58.97(18) . . . . ?
C2C Zr2 C4C C10C 157.70(19) . . . . ?
C3D Zr2 C4C C10C 120.73(16) . . . . ?
C2D Zr2 C4C C10C 93.70(17) . . . . ?
C5C Zr2 C4C C10C -124.4(2) . . . . ?
C1C Zr2 C4C C10C -161.78(19) . . . . ?
C4D Zr2 C4C C10C 97.5(2) . . . . ?
C2D C3D C4D C5D -9.0(2) . . . . ?
Zr2 C3D C4D C5D 60.31(12) . . . . ?
C2D C3D C4D C10D 160.44(17) . . . . ?
Zr2 C3D C4D C10D -130.27(18) . . . . ?
C2D C3D C4D Zr2 -69.29(12) . . . . ?
Cl21 Zr2 C4D C5D 123.97(10) . . . . ?
Cl22 Zr2 C4D C5D 32.13(11) . . . . ?
C3C Zr2 C4D C5D -98.70(12) . . . . ?
C1D Zr2 C4D C5D -38.68(10) . . . . ?
C2C Zr2 C4D C5D -135.30(11) . . . . ?
C3D Zr2 C4D C5D -118.26(15) . . . . ?
C2D Zr2 C4D C5D -79.86(11) . . . . ?
C5C Zr2 C4D C5D 169.73(14) . . . . ?
C4C Zr2 C4D C5D -84.4(2) . . . . ?
C1C Zr2 C4D C5D -170.45(10) . . . . ?
Cl21 Zr2 C4D C3D -117.78(10) . . . . ?
Cl22 Zr2 C4D C3D 150.39(10) . . . . ?
C3C Zr2 C4D C3D 19.55(14) . . . . ?
C5D Zr2 C4D C3D 118.26(15) . . . . ?
C1D Zr2 C4D C3D 79.57(11) . . . . ?
C2C Zr2 C4D C3D -17.05(12) . . . . ?
C2D Zr2 C4D C3D 38.39(10) . . . . ?
C5C Zr2 C4D C3D -72.01(19) . . . . ?
C4C Zr2 C4D C3D 33.9(2) . . . . ?
C1C Zr2 C4D C3D -52.20(13) . . . . ?
Cl21 Zr2 C4D C10D 3.91(18) . . . . ?
Cl22 Zr2 C4D C10D -87.92(19) . . . . ?
C3C Zr2 C4D C10D 141.24(18) . . . . ?
C5D Zr2 C4D C10D -120.1(2) . . . . ?
C1D Zr2 C4D C10D -158.7(2) . . . . ?
C2C Zr2 C4D C10D 104.64(19) . . . . ?
C3D Zr2 C4D C10D 121.7(2) . . . . ?
C2D Zr2 C4D C10D 160.1(2) . . . . ?
C5C Zr2 C4D C10D 49.7(3) . . . . ?
C4C Zr2 C4D C10D 155.57(19) . . . . ?
C1C Zr2 C4D C10D 69.5(2) . . . . ?
C3C C4C C5C C1C 8.4(2) . . . . ?
C10C C4C C5C C1C -160.52(17) . . . . ?
Zr2 C4C C5C C1C 68.27(12) . . . . ?
C3C C4C C5C Zr2 -59.91(12) . . . . ?
C10C C4C C5C Zr2 131.20(19) . . . . ?
C9C C1C C5C C4C 172.08(19) . . . . ?
C2C C1C C5C C4C -5.4(2) . . . . ?
Zr2 C1C C5C C4C -67.81(12) . . . . ?
C9C C1C C5C Zr2 -120.1(2) . . . . ?
C2C C1C C5C Zr2 62.38(12) . . . . ?
Cl21 Zr2 C5C C4C -170.34(11) . . . . ?
Cl22 Zr2 C5C C4C -75.88(10) . . . . ?
C3C Zr2 C5C C4C 36.12(10) . . . . ?
C5D Zr2 C5C C4C -64.2(3) . . . . ?
C1D Zr2 C5C C4C 5.40(16) . . . . ?
C2C Zr2 C5C C4C 78.05(11) . . . . ?
C3D Zr2 C5C C4C 96.99(12) . . . . ?
C2D Zr2 C5C C4C 51.42(13) . . . . ?
C1C Zr2 C5C C4C 114.28(15) . . . . ?
C4D Zr2 C5C C4C 144.39(15) . . . . ?
Cl21 Zr2 C5C C1C 75.38(10) . . . . ?
Cl22 Zr2 C5C C1C 169.85(10) . . . . ?
C3C Zr2 C5C C1C -78.15(11) . . . . ?
C5D Zr2 C5C C1C -178.5(3) . . . . ?
C1D Zr2 C5C C1C -108.88(12) . . . . ?
C2C Zr2 C5C C1C -36.22(10) . . . . ?
C3D Zr2 C5C C1C -17.29(14) . . . . ?
C2D Zr2 C5C C1C -62.86(12) . . . . ?
C4C Zr2 C5C C1C -114.28(15) . . . . ?
C4D Zr2 C5C C1C 30.1(2) . . . . ?
C3D C4D C5D C1D 7.1(2) . . . . ?
C10D C4D C5D C1D -162.43(16) . . . . ?
Zr2 C4D C5D C1D 67.96(12) . . . . ?
C3D C4D C5D Zr2 -60.89(12) . . . . ?
C10D C4D C5D Zr2 129.61(17) . . . . ?
C9D C1D C5D C4D 175.55(18) . . . . ?
C2D C1D C5D C4D -2.48(19) . . . . ?
Zr2 C1D C5D C4D -71.26(12) . . . . ?
C9D C1D C5D Zr2 -113.2(2) . . . . ?
C2D C1D C5D Zr2 68.78(12) . . . . ?
Cl21 Zr2 C5D C4D -55.89(10) . . . . ?
Cl22 Zr2 C5D C4D -148.75(10) . . . . ?
C3C Zr2 C5D C4D 107.45(11) . . . . ?
C1D Zr2 C5D C4D 113.47(15) . . . . ?
C2C Zr2 C5D C4D 63.49(13) . . . . ?
C3D Zr2 C5D C4D 35.18(10) . . . . ?
C2D Zr2 C5D C4D 75.82(11) . . . . ?
C5C Zr2 C5D C4D -160.6(3) . . . . ?
C4C Zr2 C5D C4D 148.95(11) . . . . ?
C1C Zr2 C5D C4D 21.7(2) . . . . ?
Cl21 Zr2 C5D C1D -169.36(9) . . . . ?
Cl22 Zr2 C5D C1D 97.78(10) . . . . ?
C3C Zr2 C5D C1D -6.02(13) . . . . ?
C2C Zr2 C5D C1D -49.98(14) . . . . ?
C3D Zr2 C5D C1D -78.29(11) . . . . ?
C2D Zr2 C5D C1D -37.65(10) . . . . ?
C5C Zr2 C5D C1D 85.9(3) . . . . ?
C4C Zr2 C5D C1D 35.48(15) . . . . ?
C1C Zr2 C5D C1D -91.82(18) . . . . ?
C4D Zr2 C5D C1D -113.47(15) . . . . ?
C1C C2C C6C C7C -1.9(3) . . . . ?
C3C C2C C6C C7C 175.90(19) . . . . ?
Zr2 C2C C6C C7C -93.76(19) . . . . ?
C1D C2D C6D C7D 3.4(2) . . . . ?
C3D C2D C6D C7D 177.25(18) . . . . ?
Zr2 C2D C6D C7D -84.17(19) . . . . ?
C2C C6C C7C C8C 0.7(3) . . . . ?
C2D C6D C7D C8D 0.9(3) . . . . ?
C6C C7C C8C C9C 1.8(3) . . . . ?
C6D C7D C8D C9D -2.7(3) . . . . ?
C7C C8C C9C C1C -2.7(3) . . . . ?
C5C C1C C9C C8C -175.88(19) . . . . ?
C2C C1C C9C C8C 1.4(3) . . . . ?
Zr2 C1C C9C C8C 87.1(2) . . . . ?
C7D C8D C9D C1D 0.0(3) . . . . ?
C2D C1D C9D C8D 4.3(3) . . . . ?
C5D C1D C9D C8D -173.53(18) . . . . ?
Zr2 C1D C9D C8D 93.41(18) . . . . ?
C5C C4C C10C C12C -21.8(3) . . . . ?
C3C C4C C10C C12C 171.16(18) . . . . ?
Zr2 C4C C10C C12C 79.6(2) . . . . ?
C5C C4C C10C C13C -146.70(19) . . . . ?
C3C C4C C10C C13C 46.3(3) . . . . ?
Zr2 C4C C10C C13C -45.3(2) . . . . ?
C5C C4C C10C C11C 95.7(2) . . . . ?
C3C C4C C10C C11C -71.3(2) . . . . ?
Zr2 C4C C10C C11C -162.83(14) . . . . ?
C5D C4D C10D C11D -35.1(3) . . . . ?
C3D C4D C10D C11D 157.23(18) . . . . ?
Zr2 C4D C10D C11D 60.0(3) . . . . ?
C5D C4D C10D C12D -161.00(18) . . . . ?
C3D C4D C10D C12D 31.4(3) . . . . ?
Zr2 C4D C10D C12D -65.9(2) . . . . ?
C5D C4D C10D C13D 82.0(2) . . . . ?
C3D C4D C10D C13D -85.7(3) . . . . ?
Zr2 C4D C10D C13D 177.10(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.994
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.082