# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2008

data_global

_journal_coden_Cambridge         1350
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
'Philip Dean' ? ?
'Donald C Craig' '' ''
'I Dance' '' ''
'Marcia Scudder' '' ''

_publ_contact_author_name        'Philip Dean'
_publ_contact_author_email       PAWDEAN@UWO.CA

_publ_section_title              
;
The crystallisation and packing of
[Cr(C2O4Ag(PPh3)2)3] (Ph3P/Ph3PO) (MeNO2)4
;
_publ_contact_author_address     ?
_publ_contact_letter             ?
_publ_requested_category         ?
_publ_requested_journal          ?

# Attachment 'did289.cif'

data_did289
_database_code_depnum_ccdc_archive 'CCDC 680156'
_audit_creation_method           'RAELSPUB and manual entry'
_publ_section_title_footnote     ?

# TEXT

_publ_section_abstract           ?
_publ_section_comment            ?
_publ_section_acknowledgements   ?
_publ_section_references         
; Altomare, A., Burla, M.C., Camalli, M., Cascarano, G.,Giacovazzo, C.,
Guagliardi, A., Polidori, G., J. Appl. Cryst., 1994, 27, 435.

Ibers, J.A. and Hamilton, W.C., (Eds) International Tables for X-Ray
Crystallography Vol. 4 , Kynoch Press, Birmingham, 1974.

Johnson, C.K.,'ORTEP-II', Oak Ridge National Laboratory, Tennessee,
U.S.A., 1976.

Rae, A.D., RAELS. A comprehensive Constrained Least Squares Refinement
Program, University of New South Wales, 1996.

Schagen, J.D., Straver, L., van Meurs, F., Williams, G.,
CAD4 Version 5.0, Delft Instruments X-ray Diffraction, 1989.
;

_publ_section_figure_captions    ?
_publ_section_exptl_prep         ?
_publ_section_exptl_refinement   ?
_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_computing_structure_refinement  'RAELS, (Rae, 1996)'
_computing_molecular_graphics    'ORTEP-II, (Johnson, 1976)'
_computing_publication_material  'Local programs'

# CHEMICAL DATA

_chemical_name_systematic        ?
_chemical_formula_moiety         
'C114 H90 Ag3 Cr O12 P6, C18 H15 O0.27 P,4(C H3 N O2)'
_chemical_formula_sum            'C136 H117 Ag3 Cr N4 O20.27 P7'
_chemical_formula_iupac          ?
_chemical_formula_weight         2724.2
_chemical_absolute_configuration ?

# CRYSTAL DATA

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_cell_length_a                   14.498(3)
_cell_length_b                   21.071(5)
_cell_length_c                   22.764(5)
_cell_angle_alpha                67.934(4)
_cell_angle_beta                 77.079(4)
_cell_angle_gamma                84.601(4)
_cell_volume                     6281(2)
_cell_formula_units_Z            2
_exptl_crystal_description       plates
_exptl_crystal_colour            blue-purple
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_exptl_crystal_size_rad          ?
_cell_measurement_temperature    150(2)
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2786.3
_exptl_absorpt_coefficient_mu    0.696
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?

# EXPERIMENTAL DATA

_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_ambient_temperature      150(2)
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number            28450
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_theta_max         28.3
_diffrn_measured_fraction_theta_max 0.99
_diffrn_reflns_theta_full        28.3
_diffrn_measured_fraction_theta_full 0.99
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_standards_number         ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0

# REFINEMENT DATA

_refine_special_details          
; The carbon atoms of each of the phenyl rings were refined as a rigid group
with 12-parameter TL rigid-body thermal parameters with their centres of
libration at the appropriate P atom used for each phenyl ring. The
nitromethane solvent molecules were refined as planar rigid groups with 12
parameter TL rigid body thermal parameters. Hydrogen atoms were included in
positions calculated each cycle, and their thermal motions were either
included in the appropriate rigid group or assigned equal to their bonded
atom. Hydrogen atoms of the nitromethane were not included.
;
_reflns_number_total             28450
_reflns_number_gt                21057
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.066
_refine_ls_wR_factor_ref         0.103
_refine_ls_abs_structure_Flack   ?
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         25182
_refine_ls_number_parameters     711
_refine_ls_goodness_of_fit_ref   1.71
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w = 1/[σ²(F) + 0.0004F²]'
_refine_ls_shift/su_max          0.074
_refine_diff_density_max         2.05
_refine_diff_density_min         -2.54
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_atom_type_scat_source           
'International Tables for X-ray Crystallography, Vol. IV'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_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_type_symbol
_atom_site_occupancy
Cr 0.34017(5) 0.36989(4) 0.31200(4) 0.0230(2) Uani Cr 1.0
O11 0.4606(2) 0.3179(2) 0.3106(2) 0.0262(7) Uani O 1.0
O21 0.4155(2) 0.4409(2) 0.2380(2) 0.0283(7) Uani O 1.0
O31 0.6125(2) 0.3313(2) 0.2582(2) 0.0328(8) Uani O 1.0
O41 0.5560(2) 0.4551(2) 0.1695(2) 0.0321(8) Uani O 1.0
C11 0.5290(3) 0.3514(2) 0.2654(2) 0.025(1) Uani C 1.0
C21 0.5003(3) 0.4216(2) 0.2190(2) 0.025(1) Uani C 1.0
AgA 0.71058(2) 0.39532(2) 0.15575(2) 0.0283(1) Uani Ag 1.0
P1A 0.69689(9) 0.34134(7) 0.08131(6) 0.0271(3) Uani P 1.0
P2A 0.80072(9) 0.48095(7) 0.16426(6) 0.0296(3) Uani P 1.0
C1A 0.5898(2) 0.2922(2) 0.0990(2) 0.029(1) Uani C 1.0
C2A 0.5031(2) 0.3202(2) 0.1188(2) 0.0368(8) Uani C 1.0
C3A 0.4199(2) 0.2841(2) 0.1342(2) 0.044(1) Uani C 1.0
C4A 0.4231(2) 0.2201(2) 0.1300(2) 0.046(1) Uani C 1.0
C5A 0.5089(3) 0.1918(2) 0.1104(2) 0.055(1) Uani C 1.0
C6A 0.5923(2) 0.2278(2) 0.0949(2) 0.045(1) Uani C 1.0
C7A 0.7935(2) 0.2869(2) 0.0604(2) 0.032(1) Uani C 1.0
C8A 0.8099(3) 0.2761(2) 0.0022(2) 0.042(1) Uani C 1.0
C9A 0.8804(3) 0.2305(2) -0.0102(2) 0.056(1) Uani C 1.0
C10A 0.9346(3) 0.1957(2) 0.0354(2) 0.057(2) Uani C 1.0
C11A 0.9188(3) 0.2061(2) 0.0933(2) 0.049(1) Uani C 1.0
C12A 0.8484(3) 0.2517(2) 0.1059(1) 0.037(1) Uani C 1.0
C13A 0.6947(3) 0.4129(2) 0.0050(2) 0.036(1) Uani C 1.0
C14A 0.7777(2) 0.4501(2) -0.0251(2) 0.054(1) Uani C 1.0
C15A 0.7807(3) 0.5073(2) -0.0818(2) 0.072(2) Uani C 1.0
C16A 0.7010(3) 0.5274(2) -0.1086(2) 0.064(2) Uani C 1.0
C17A 0.6182(3) 0.4907(2) -0.0791(2) 0.055(1) Uani C 1.0
C18A 0.6149(2) 0.4334(2) -0.0223(2) 0.045(1) Uani C 1.0
C19A 0.9079(2) 0.4501(2) 0.1961(2) 0.029(1) Uani C 1.0
C20A 0.9616(2) 0.3995(2) 0.1780(2) 0.0334(9) Uani C 1.0
C21A 1.0438(2) 0.3740(2) 0.2014(2) 0.039(1) Uani C 1.0
C22A 1.0723(2) 0.3987(2) 0.2428(2) 0.041(1) Uani C 1.0
C23A 1.0194(2) 0.4489(2) 0.2610(2) 0.041(1) Uani C 1.0
C24A 0.9372(2) 0.4747(2) 0.2377(2) 0.035(1) Uani C 1.0
C25A 0.8397(3) 0.5495(2) 0.0864(2) 0.036(1) Uani C 1.0
C26A 0.9298(2) 0.5775(2) 0.0666(2) 0.052(1) Uani C 1.0
C27A 0.9544(3) 0.6310(2) 0.0073(2) 0.062(2) Uani C 1.0
C28A 0.8892(3) 0.6566(2) -0.0322(2) 0.063(2) Uani C 1.0
C29A 0.7995(3) 0.6291(2) -0.0130(2) 0.081(1) Uani C 1.0
C30A 0.7746(2) 0.5756(2) 0.0463(2) 0.063(1) Uani C 1.0
C31A 0.7330(2) 0.5270(2) 0.2140(2) 0.035(1) Uani C 1.0
C32A 0.7427(3) 0.5970(2) 0.1976(2) 0.056(2) Uani C 1.0
C33A 0.6860(3) 0.6306(2) 0.2352(2) 0.071(2) Uani C 1.0
C34A 0.6197(3) 0.5945(2) 0.2890(2) 0.059(2) Uani C 1.0
C35A 0.6095(3) 0.5249(2) 0.3056(2) 0.050(2) Uani C 1.0
C36A 0.6660(3) 0.4910(2) 0.2682(2) 0.041(1) Uani C 1.0
O12 0.3711(2) 0.4037(2) 0.3746(2) 0.0297(8) Uani O 1.0
O22 0.2314(2) 0.4341(2) 0.3140(2) 0.0264(7) Uani O 1.0
O32 0.3476(3) 0.4967(2) 0.4005(2) 0.0402(9) Uani O 1.0
O42 0.1874(2) 0.5238(2) 0.3437(2) 0.0351(8) Uani O 1.0
C12 0.3269(3) 0.4586(3) 0.3759(2) 0.028(1) Uani C 1.0
C22 0.2402(3) 0.4755(2) 0.3420(2) 0.025(1) Uani C 1.0
AgB 0.25151(3) 0.60111(2) 0.38045(2) 0.0334(1) Uani Ag 1.0
P1B 0.31131(12) 0.70253(7) 0.28995(7) 0.0409(4) Uani P 1.0
P2B 0.19785(9) 0.58338(6) 0.49418(6) 0.0274(3) Uani P 1.0
C1B 0.3452(4) 0.6961(2) 0.2106(2) 0.060(2) Uani C 1.0
C2B 0.3993(4) 0.6393(2) 0.2059(2) 0.071(2) Uani C 1.0
C3B 0.4318(5) 0.6331(3) 0.1459(3) 0.100(3) Uani C 1.0
C4B 0.4105(5) 0.6835(3) 0.0906(2) 0.119(3) Uani C 1.0
C5B 0.3568(5) 0.7401(3) 0.0948(2) 0.108(2) Uani C 1.0
C6B 0.3241(4) 0.7465(2) 0.1547(2) 0.077(2) Uani C 1.0
C7B 0.4159(3) 0.7378(2) 0.2973(2) 0.039(2) Uani C 1.0
C8B 0.4853(3) 0.7727(2) 0.2443(2) 0.054(2) Uani C 1.0
C9B 0.5625(3) 0.8001(2) 0.2533(2) 0.067(2) Uani C 1.0
C10B 0.5705(3) 0.7928(3) 0.3149(2) 0.071(2) Uani C 1.0
C11B 0.5019(4) 0.7582(3) 0.3679(2) 0.083(3) Uani C 1.0
C12B 0.4245(3) 0.7307(2) 0.3592(2) 0.064(2) Uani C 1.0
C13B 0.2222(3) 0.7710(2) 0.2829(2) 0.049(1) Uani C 1.0
C14B 0.2407(3) 0.8369(2) 0.2774(3) 0.068(2) Uani C 1.0
C15B 0.1669(3) 0.8837(2) 0.2801(3) 0.087(2) Uani C 1.0
C16B 0.0746(3) 0.8648(2) 0.2881(3) 0.083(2) Uani C 1.0
C17B 0.0555(2) 0.7995(2) 0.2936(3) 0.072(2) Uani C 1.0
C18B 0.1291(3) 0.7525(2) 0.2911(3) 0.058(1) Uani C 1.0
C19B 0.2960(2) 0.6043(2) 0.5219(2) 0.029(1) Uani C 1.0
C20B 0.3846(2) 0.5766(2) 0.5057(2) 0.037(1) Uani C 1.0
C21B 0.4628(2) 0.5927(2) 0.5233(2) 0.044(2) Uani C 1.0
C22B 0.4527(2) 0.6364(2) 0.5570(2) 0.043(1) Uani C 1.0
C23B 0.3649(3) 0.6643(2) 0.5732(2) 0.044(1) Uani C 1.0
C24B 0.2864(2) 0.6484(2) 0.5558(2) 0.038(1) Uani C 1.0
C25B 0.1012(2) 0.6405(1) 0.5099(2) 0.027(1) Uani C 1.0
C26B 0.1055(2) 0.7086(2) 0.4677(2) 0.038(1) Uani C 1.0
C27B 0.0309(3) 0.7536(1) 0.4748(2) 0.047(2) Uani C 1.0
C28B -0.0478(2) 0.7308(2) 0.5240(2) 0.041(1) Uani C 1.0
C29B -0.0527(2) 0.6633(2) 0.5662(2) 0.036(1) Uani C 1.0
C30B 0.0216(2) 0.6180(1) 0.5592(2) 0.031(1) Uani C 1.0
C31B 0.1581(2) 0.4990(1) 0.5517(2) 0.030(1) Uani C 1.0
C32B 0.1730(3) 0.4738(2) 0.6149(2) 0.040(1) Uani C 1.0
C33B 0.1328(3) 0.4121(2) 0.6592(1) 0.048(2) Uani C 1.0
C34B 0.0778(3) 0.3757(2) 0.6406(2) 0.045(2) Uani C 1.0
C35B 0.0627(3) 0.4004(2) 0.5779(2) 0.045(2) Uani C 1.0
C36B 0.1027(3) 0.4620(2) 0.5334(1) 0.038(1) Uani C 1.0
O13 0.2724(2) 0.2892(2) 0.3796(2) 0.0255(7) Uani O 1.0
O23 0.2991(2) 0.3334(2) 0.2540(2) 0.0258(7) Uani O 1.0
O33 0.2154(3) 0.1895(2) 0.3907(2) 0.0318(8) Uani O 1.0
O43 0.2371(3) 0.2386(2) 0.2560(2) 0.0319(8) Uani O 1.0
C13 0.2486(3) 0.2464(2) 0.3579(2) 0.024(1) Uani C 1.0
C23 0.2626(3) 0.2731(2) 0.2829(2) 0.025(1) Uani C 1.0
AgC 0.20490(3) 0.11926(2) 0.32972(2) 0.0300(1) Uani Ag 1.0
P1C 0.04990(9) 0.10961(6) 0.31037(6) 0.0262(3) Uani P 1.0
P2C 0.34354(9) 0.04521(7) 0.33613(7) 0.0318(3) Uani P 1.0
C1C -0.0341(2) 0.1800(1) 0.3087(2) 0.026(1) Uani C 1.0
C2C -0.0245(2) 0.2195(2) 0.3442(2) 0.030(1) Uani C 1.0
C3C -0.0892(2) 0.2719(2) 0.3473(2) 0.035(1) Uani C 1.0
C4C -0.1633(2) 0.2850(2) 0.3151(2) 0.036(1) Uani C 1.0
C5C -0.1735(2) 0.2460(2) 0.2798(2) 0.034(1) Uani C 1.0
C6C -0.1090(2) 0.1935(2) 0.2765(2) 0.0301(9) Uani C 1.0
C7C -0.0163(2) 0.0330(2) 0.3652(2) 0.031(1) Uani C 1.0
C8C 0.0232(2) -0.0110(2) 0.4166(2) 0.0393(9) Uani C 1.0
C9C -0.0264(3) -0.0681(2) 0.4625(2) 0.047(1) Uani C 1.0
C10C -0.1153(3) -0.0813(2) 0.4573(2) 0.048(1) Uani C 1.0
C11C -0.1552(2) -0.0378(2) 0.4065(2) 0.051(1) Uani C 1.0
C12C -0.1058(2) 0.0193(2) 0.3604(2) 0.043(1) Uani C 1.0
C13C 0.0713(2) 0.1066(2) 0.2290(1) 0.031(1) Uani C 1.0
C14C 0.0413(3) 0.0543(2) 0.2145(2) 0.039(1) Uani C 1.0
C15C 0.0705(3) 0.0523(2) 0.1527(2) 0.049(2) Uani C 1.0
C16C 0.1294(3) 0.1025(2) 0.1052(2) 0.051(2) Uani C 1.0
C17C 0.1596(3) 0.1547(2) 0.1191(2) 0.048(2) Uani C 1.0
C18C 0.1306(3) 0.1569(2) 0.1809(2) 0.038(1) Uani C 1.0
C19C 0.3140(3) -0.0350(2) 0.4045(2) 0.035(1) Uani C 1.0
C20C 0.2611(3) -0.0309(2) 0.4621(2) 0.043(1) Uani C 1.0
C21C 0.2308(3) -0.0903(2) 0.5148(2) 0.053(1) Uani C 1.0
C22C 0.2531(4) -0.1537(2) 0.5101(2) 0.068(2) Uani C 1.0
C23C 0.3057(4) -0.1583(2) 0.4531(2) 0.094(2) Uani C 1.0
C24C 0.3362(4) -0.0991(2) 0.4002(2) 0.071(1) Uani C 1.0
C25C 0.3870(2) 0.0219(2) 0.2658(2) 0.033(1) Uani C 1.0
C26C 0.3290(2) 0.0319(2) 0.2219(2) 0.045(1) Uani C 1.0
C27C 0.3612(3) 0.0144(2) 0.1674(2) 0.059(1) Uani C 1.0
C28C 0.4512(3) -0.0129(2) 0.1569(2) 0.061(2) Uani C 1.0
C29C 0.5094(2) -0.0230(2) 0.2002(2) 0.062(2) Uani C 1.0
C30C 0.4775(2) -0.0056(2) 0.2547(2) 0.047(1) Uani C 1.0
C31C 0.4497(2) 0.0756(2) 0.3479(2) 0.036(1) Uani C 1.0
C32C 0.4843(3) 0.1393(2) 0.3044(2) 0.0421(9) Uani C 1.0
C33C 0.5654(3) 0.1650(2) 0.3103(2) 0.050(1) Uani C 1.0
C34C 0.6120(3) 0.1272(2) 0.3596(2) 0.057(1) Uani C 1.0
C35C 0.5782(3) 0.0639(2) 0.4031(2) 0.064(1) Uani C 1.0
C36C 0.4971(3) 0.0380(2) 0.3973(2) 0.052(1) Uani C 1.0
P1D 0.1277(2) 0.0129(2) 0.9133(1) 0.119(1) Uani P 1.0
C1D 0.2044(5) -0.0250(4) 0.9710(3) 0.098(3) Uani C 1.0
C2D 0.3025(5) -0.0288(5) 0.9530(3) 0.176(5) Uani C 1.0
C3D 0.3574(4) -0.0555(5) 1.0001(5) 0.202(5) Uani C 1.0
C4D 0.3145(6) -0.0784(4) 1.0650(4) 0.136(4) Uani C 1.0
C5D 0.2171(7) -0.0748(5) 1.0834(3) 0.144(5) Uani C 1.0
C6D 0.1619(4) -0.0482(5) 1.0365(4) 0.133(4) Uani C 1.0
C7D 0.1937(4) 0.0085(3) 0.8400(3) 0.090(2) Uani C 1.0
C8D 0.2236(4) -0.0569(3) 0.8420(3) 0.095(2) Uani C 1.0
C9D 0.2693(5) -0.0673(3) 0.7856(3) 0.100(2) Uani C 1.0
C10D 0.2851(4) -0.0125(4) 0.7272(3) 0.098(2) Uani C 1.0
C11D 0.2556(4) 0.0527(3) 0.7246(2) 0.097(2) Uani C 1.0
C12D 0.2099(4) 0.0633(3) 0.7810(3) 0.094(2) Uani C 1.0
C13D 0.1188(6) 0.1020(3) 0.8969(4) 0.115(3) Uani C 1.0
C14D 0.1754(5) 0.1357(4) 0.9177(3) 0.117(2) Uani C 1.0
C15D 0.1661(6) 0.2062(4) 0.9023(4) 0.133(3) Uani C 1.0
C16D 0.1005(7) 0.2430(3) 0.8662(5) 0.176(4) Uani C 1.0
C17D 0.0440(7) 0.2100(5) 0.8453(5) 0.205(3) Uani C 1.0
C18D 0.0530(6) 0.1395(5) 0.8606(5) 0.161(2) Uani C 1.0
O1D 0.0358(18) -0.0137(16) 0.9384(12) 0.119(1) Uani O 0.27
N1Nm1 0.4073(3) 0.1467(2) 0.5161(3) 0.075(2) Uani N 1.0
C1Nm1 0.4351(8) 0.1956(5) 0.4511(4) 0.174(4) Uani C 1.0
O1Nm1 0.3728(5) 0.0932(3) 0.5267(4) 0.144(3) Uani O 1.0
O2Nm1 0.4177(6) 0.1577(4) 0.5620(3) 0.150(3) Uani O 1.0
N1Nm2 0.2282(3) 0.2503(3) 0.5891(3) 0.096(3) Uani N 1.0
C1Nm2 0.2710(8) 0.3117(4) 0.5395(4) 0.142(4) Uani C 1.0
O1Nm2 0.2127(5) 0.2427(3) 0.6452(3) 0.124(3) Uani O 1.0
O2Nm2 0.2065(6) 0.2044(4) 0.5763(4) 0.143(3) Uani O 1.0
N1Nm3 0.9039(6) 0.3691(4) 0.8170(3) 0.172(3) Uani N 1.0
C1Nm3 0.8237(10) 0.4149(7) 0.8074(9) 0.250(4) Uani C 1.0
O1Nm3 0.9616(7) 0.3756(4) 0.8445(4) 0.187(3) Uani O 1.0
O2Nm3 0.9160(9) 0.3227(6) 0.7979(7) 0.302(5) Uani O 1.0
N1Nm4 0.3887(7) 0.1704(5) 0.9518(4) 0.218(5) Uani N 1.0
C1Nm4 0.3550(21) 0.2391(9) 0.9213(8) 0.444(9) Uani C 1.0
O1Nm4 0.4388(10) 0.1406(6) 0.9211(5) 0.263(6) Uani O 1.0
O2Nm4 0.3678(10) 0.1406(6) 1.0091(4) 0.266(7) Uani O 1.0
HC2A 0.5005 0.3665 0.1219 0.051 Uani H 1.0
HC3A 0.3578 0.3044 0.1484 0.060 Uani H 1.0
HC4A 0.3633 0.1943 0.1411 0.056 Uani H 1.0
HC5A 0.5111 0.1456 0.1074 0.082 Uani H 1.0
HC6A 0.6543 0.2072 0.0808 0.062 Uani H 1.0
HC8A 0.7708 0.3012 -0.0308 0.047 Uani H 1.0
HC9A 0.8919 0.2229 -0.0520 0.073 Uani H 1.0
HC10A 0.9852 0.1630 0.0264 0.072 Uani H 1.0
HC11A 0.9581 0.1809 0.1262 0.058 Uani H 1.0
HC12A 0.8372 0.2591 0.1479 0.040 Uani H 1.0
HC14A 0.8354 0.4358 -0.0058 0.071 Uani H 1.0
HC15A 0.8404 0.5339 -0.1033 0.105 Uani H 1.0
HC16A 0.7032 0.5684 -0.1494 0.079 Uani H 1.0
HC17A 0.5607 0.5053 -0.0985 0.072 Uani H 1.0
HC18A 0.5549 0.4070 -0.0010 0.058 Uani H 1.0
HC20A 0.9411 0.3816 0.1481 0.038 Uani H 1.0
HC21A 1.0821 0.3377 0.1883 0.047 Uani H 1.0
HC22A 1.1313 0.3803 0.2595 0.047 Uani H 1.0
HC23A 1.0402 0.4667 0.2909 0.050 Uani H 1.0
HC24A 0.8992 0.5109 0.2510 0.040 Uani H 1.0
HC26A 0.9770 0.5590 0.0951 0.081 Uani H 1.0
HC27A 1.0191 0.6509 -0.0067 0.091 Uani H 1.0
HC28A 0.9070 0.6950 -0.0748 0.079 Uani H 1.0
HC29A 0.7526 0.6477 -0.0417 0.130 Uani H 1.0
HC30A 0.7097 0.5558 0.0601 0.095 Uani H 1.0
HC32A 0.7905 0.6233 0.1588 0.074 Uani H 1.0
HC33A 0.6932 0.6809 0.2233 0.105 Uani H 1.0
HC34A 0.5791 0.6187 0.3159 0.073 Uani H 1.0
HC35A 0.5615 0.4989 0.3445 0.064 Uani H 1.0
HC36A 0.6585 0.4407 0.2803 0.053 Uani H 1.0
HC2B 0.4148 0.6028 0.2458 0.072 Uani H 1.0
HC3B 0.4706 0.5923 0.1428 0.119 Uani H 1.0
HC4B 0.4339 0.6790 0.0476 0.153 Uani H 1.0
HC5B 0.3415 0.7764 0.0548 0.135 Uani H 1.0
HC6B 0.2853 0.7874 0.1576 0.080 Uani H 1.0
HC8B 0.4797 0.7781 0.1997 0.078 Uani H 1.0
HC9B 0.6122 0.8251 0.2151 0.094 Uani H 1.0
HC10B 0.6260 0.8125 0.3212 0.089 Uani H 1.0
HC11B 0.5078 0.7530 0.4124 0.127 Uani H 1.0
HC12B 0.3750 0.7058 0.3976 0.089 Uani H 1.0
HC14B 0.3073 0.8506 0.2716 0.082 Uani H 1.0
HC15B 0.1805 0.9309 0.2761 0.117 Uani H 1.0
HC16B 0.0217 0.8985 0.2900 0.102 Uani H 1.0
HC17B -0.0112 0.7860 0.2995 0.089 Uani H 1.0
HC18B 0.1151 0.7054 0.2951 0.066 Uani H 1.0
HC20B 0.3922 0.5449 0.4814 0.047 Uani H 1.0
HC21B 0.5264 0.5726 0.5117 0.060 Uani H 1.0
HC22B 0.5089 0.6480 0.5696 0.050 Uani H 1.0
HC23B 0.3577 0.6959 0.5976 0.059 Uani H 1.0
HC24B 0.2231 0.6686 0.5676 0.049 Uani H 1.0
HC26B 0.1623 0.7252 0.4321 0.047 Uani H 1.0
HC27B 0.0343 0.8025 0.4444 0.065 Uani H 1.0
HC28B -0.1012 0.7632 0.5291 0.049 Uani H 1.0
HC29B -0.1097 0.6469 0.6016 0.045 Uani H 1.0
HC30B 0.0179 0.5692 0.5897 0.039 Uani H 1.0
HC32B 0.2127 0.5000 0.6285 0.052 Uani H 1.0
HC33B 0.1436 0.3942 0.7045 0.066 Uani H 1.0
HC34B 0.0490 0.3315 0.6725 0.054 Uani H 1.0
HC35B 0.0229 0.3740 0.5646 0.061 Uani H 1.0
HC36B 0.0916 0.4797 0.4882 0.048 Uani H 1.0
HC2C 0.0291 0.2101 0.3675 0.033 Uani H 1.0
HC3C -0.0820 0.3001 0.3728 0.042 Uani H 1.0
HC4C -0.2097 0.3226 0.3174 0.041 Uani H 1.0
HC5C -0.2272 0.2556 0.2566 0.041 Uani H 1.0
HC6C -0.1165 0.1655 0.2509 0.034 Uani H 1.0
HC8C 0.0875 -0.0016 0.4205 0.050 Uani H 1.0
HC9C 0.0022 -0.0996 0.4993 0.064 Uani H 1.0
HC10C -0.1509 -0.1223 0.4903 0.058 Uani H 1.0
HC11C -0.2195 -0.0475 0.4028 0.071 Uani H 1.0
HC12C -0.1348 0.0506 0.3237 0.056 Uani H 1.0
HC14C -0.0013 0.0180 0.2488 0.046 Uani H 1.0
HC15C 0.0488 0.0146 0.1425 0.062 Uani H 1.0
HC16C 0.1503 0.1010 0.0608 0.062 Uani H 1.0
HC17C 0.2022 0.1909 0.0847 0.061 Uani H 1.0
HC18C 0.1525 0.1947 0.1907 0.043 Uani H 1.0
HC20C 0.2449 0.0149 0.4656 0.065 Uani H 1.0
HC21C 0.1928 -0.0871 0.5561 0.075 Uani H 1.0
HC22C 0.2313 -0.1963 0.5480 0.087 Uani H 1.0
HC23C 0.3217 -0.2043 0.4498 0.153 Uani H 1.0
HC24C 0.3742 -0.1026 0.3590 0.106 Uani H 1.0
HC26C 0.2639 0.0516 0.2294 0.058 Uani H 1.0
HC27C 0.3193 0.0217 0.1360 0.082 Uani H 1.0
HC28C 0.4742 -0.0254 0.1178 0.078 Uani H 1.0
HC29C 0.5744 -0.0428 0.1925 0.087 Uani H 1.0
HC30C 0.5197 -0.0129 0.2860 0.061 Uani H 1.0
HC32C 0.4508 0.1667 0.2687 0.052 Uani H 1.0
HC33C 0.5900 0.2107 0.2790 0.064 Uani H 1.0
HC34C 0.6702 0.1457 0.3638 0.068 Uani H 1.0
HC35C 0.6120 0.0367 0.4387 0.090 Uani H 1.0
HC36C 0.4728 -0.0078 0.4288 0.066 Uani H 1.0
HC2D 0.3337 -0.0122 0.9061 0.280 Uani H 1.0
HC3D 0.4278 -0.0581 0.9869 0.333 Uani H 1.0
HC4D 0.3539 -0.0975 1.0987 0.158 Uani H 1.0
HC5D 0.1863 -0.0914 1.1304 0.225 Uani H 1.0
HC6D 0.0915 -0.0457 1.0499 0.214 Uani H 1.0
HC8D 0.2123 -0.0966 0.8842 0.101 Uani H 1.0
HC9D 0.2906 -0.1144 0.7873 0.110 Uani H 1.0
HC10D 0.3178 -0.0200 0.6867 0.103 Uani H 1.0
HC11D 0.2671 0.0922 0.6824 0.105 Uani H 1.0
HC12D 0.1887 0.1105 0.7790 0.100 Uani H 1.0
HC14D 0.2228 0.1092 0.9439 0.127 Uani H 1.0
HC15D 0.2068 0.2302 0.9174 0.139 Uani H 1.0
HC16D 0.0939 0.2937 0.8552 0.212 Uani H 1.0
HC17D -0.0034 0.2367 0.8192 0.279 Uani H 1.0
HC18D 0.0120 0.1157 0.8454 0.186 Uani H 1.0


# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cr O11 1.973(3) 1_555 1_555 no
Cr O21 1.964(3) 1_555 1_555 no
Cr O12 1.962(3) 1_555 1_555 no
Cr O22 1.982(3) 1_555 1_555 no
Cr O13 1.975(3) 1_555 1_555 no
Cr O23 1.972(3) 1_555 1_555 no
O11 C11 1.292(5) 1_555 1_555 no
O21 C21 1.291(6) 1_555 1_555 no
O31 C11 1.240(5) 1_555 1_555 no
O31 AgA 2.408(3) 1_555 1_555 no
O41 C21 1.233(6) 1_555 1_555 no
O41 AgA 2.482(3) 1_555 1_555 no
C11 C21 1.543(6) 1_555 1_555 no
AgA P1A 2.418(1) 1_555 1_555 no
AgA P2A 2.413(1) 1_555 1_555 no
P1A C1A 1.832(3) 1_555 1_555 no
P1A C7A 1.820(3) 1_555 1_555 no
P1A C13A 1.827(3) 1_555 1_555 no
P2A C19A 1.823(3) 1_555 1_555 no
P2A C25A 1.824(3) 1_555 1_555 no
P2A C31A 1.826(3) 1_555 1_555 no
C1A C2A 1.393(1) 1_555 1_555 no
C1A C6A 1.393(1) 1_555 1_555 no
C2A C3A 1.393(1) 1_555 1_555 no
C3A C4A 1.383(1) 1_555 1_555 no
C4A C5A 1.383(1) 1_555 1_555 no
C5A C6A 1.393(1) 1_555 1_555 no
C7A C8A 1.393(1) 1_555 1_555 no
C7A C12A 1.393(1) 1_555 1_555 no
C8A C9A 1.393(1) 1_555 1_555 no
C9A C10A 1.383(1) 1_555 1_555 no
C10A C11A 1.383(1) 1_555 1_555 no
C11A C12A 1.393(1) 1_555 1_555 no
C13A C14A 1.393(1) 1_555 1_555 no
C13A C18A 1.393(1) 1_555 1_555 no
C14A C15A 1.393(1) 1_555 1_555 no
C15A C16A 1.383(1) 1_555 1_555 no
C16A C17A 1.383(1) 1_555 1_555 no
C17A C18A 1.393(1) 1_555 1_555 no
C19A C20A 1.393(1) 1_555 1_555 no
C19A C24A 1.393(1) 1_555 1_555 no
C20A C21A 1.393(1) 1_555 1_555 no
C21A C22A 1.383(1) 1_555 1_555 no
C22A C23A 1.383(1) 1_555 1_555 no
C23A C24A 1.393(1) 1_555 1_555 no
C25A C26A 1.393(1) 1_555 1_555 no
C25A C30A 1.393(1) 1_555 1_555 no
C26A C27A 1.393(1) 1_555 1_555 no
C27A C28A 1.383(1) 1_555 1_555 no
C28A C29A 1.383(1) 1_555 1_555 no
C29A C30A 1.393(1) 1_555 1_555 no
C31A C32A 1.393(1) 1_555 1_555 no
C31A C36A 1.393(1) 1_555 1_555 no
C32A C33A 1.393(1) 1_555 1_555 no
C33A C34A 1.383(1) 1_555 1_555 no
C34A C35A 1.383(1) 1_555 1_555 no
C35A C36A 1.393(1) 1_555 1_555 no
O12 C12 1.275(6) 1_555 1_555 no
O22 C22 1.287(5) 1_555 1_555 no
O32 C12 1.228(5) 1_555 1_555 no
O32 AgB 2.438(3) 1_555 1_555 no
O42 C22 1.222(5) 1_555 1_555 no
O42 AgB 2.424(3) 1_555 1_555 no
C12 C22 1.564(6) 1_555 1_555 no
AgB P1B 2.409(2) 1_555 1_555 no
AgB P2B 2.424(1) 1_555 1_555 no
P1B C1B 1.816(4) 1_555 1_555 no
P1B C7B 1.816(3) 1_555 1_555 no
P1B C13B 1.829(4) 1_555 1_555 no
P2B C19B 1.829(3) 1_555 1_555 no
P2B C25B 1.823(3) 1_555 1_555 no
P2B C31B 1.820(3) 1_555 1_555 no
C1B C2B 1.393(1) 1_555 1_555 no
C1B C6B 1.393(1) 1_555 1_555 no
C2B C3B 1.393(1) 1_555 1_555 no
C3B C4B 1.383(1) 1_555 1_555 no
C4B C5B 1.383(1) 1_555 1_555 no
C5B C6B 1.393(1) 1_555 1_555 no
C7B C8B 1.393(1) 1_555 1_555 no
C7B C12B 1.393(1) 1_555 1_555 no
C8B C9B 1.393(1) 1_555 1_555 no
C9B C10B 1.383(1) 1_555 1_555 no
C10B C11B 1.383(1) 1_555 1_555 no
C11B C12B 1.393(1) 1_555 1_555 no
C13B C14B 1.393(1) 1_555 1_555 no
C13B C18B 1.393(1) 1_555 1_555 no
C14B C15B 1.393(1) 1_555 1_555 no
C15B C16B 1.383(1) 1_555 1_555 no
C16B C17B 1.383(1) 1_555 1_555 no
C17B C18B 1.393(1) 1_555 1_555 no
C19B C20B 1.393(1) 1_555 1_555 no
C19B C24B 1.393(1) 1_555 1_555 no
C20B C21B 1.393(1) 1_555 1_555 no
C21B C22B 1.383(1) 1_555 1_555 no
C22B C23B 1.383(1) 1_555 1_555 no
C23B C24B 1.393(1) 1_555 1_555 no
C25B C26B 1.393(1) 1_555 1_555 no
C25B C30B 1.393(1) 1_555 1_555 no
C26B C27B 1.393(1) 1_555 1_555 no
C27B C28B 1.383(1) 1_555 1_555 no
C28B C29B 1.383(1) 1_555 1_555 no
C29B C30B 1.393(1) 1_555 1_555 no
C31B C32B 1.393(1) 1_555 1_555 no
C31B C36B 1.393(1) 1_555 1_555 no
C32B C33B 1.393(1) 1_555 1_555 no
C33B C34B 1.383(1) 1_555 1_555 no
C34B C35B 1.383(1) 1_555 1_555 no
C35B C36B 1.393(1) 1_555 1_555 no
O13 C13 1.282(5) 1_555 1_555 no
O23 C23 1.291(5) 1_555 1_555 no
O33 C13 1.226(5) 1_555 1_555 no
O33 AgC 2.412(3) 1_555 1_555 no
O43 C23 1.233(5) 1_555 1_555 no
O43 AgC 2.461(3) 1_555 1_555 no
C13 C23 1.556(7) 1_555 1_555 no
AgC P1C 2.425(1) 1_555 1_555 no
AgC P2C 2.422(1) 1_555 1_555 no
P1C C1C 1.823(3) 1_555 1_555 no
P1C C7C 1.824(3) 1_555 1_555 no
P1C C13C 1.833(3) 1_555 1_555 no
P2C C19C 1.823(3) 1_555 1_555 no
P2C C25C 1.811(3) 1_555 1_555 no
P2C C31C 1.831(3) 1_555 1_555 no
C1C C2C 1.393(1) 1_555 1_555 no
C1C C6C 1.393(1) 1_555 1_555 no
C2C C3C 1.393(1) 1_555 1_555 no
C3C C4C 1.383(1) 1_555 1_555 no
C4C C5C 1.383(1) 1_555 1_555 no
C5C C6C 1.393(1) 1_555 1_555 no
C7C C8C 1.393(1) 1_555 1_555 no
C7C C12C 1.393(1) 1_555 1_555 no
C8C C9C 1.393(1) 1_555 1_555 no
C9C C10C 1.383(1) 1_555 1_555 no
C10C C11C 1.383(1) 1_555 1_555 no
C11C C12C 1.393(1) 1_555 1_555 no
C13C C14C 1.393(1) 1_555 1_555 no
C13C C18C 1.393(1) 1_555 1_555 no
C14C C15C 1.393(1) 1_555 1_555 no
C15C C16C 1.383(1) 1_555 1_555 no
C16C C17C 1.383(1) 1_555 1_555 no
C17C C18C 1.393(1) 1_555 1_555 no
C19C C20C 1.393(1) 1_555 1_555 no
C19C C24C 1.393(1) 1_555 1_555 no
C20C C21C 1.393(1) 1_555 1_555 no
C21C C22C 1.383(1) 1_555 1_555 no
C22C C23C 1.383(1) 1_555 1_555 no
C23C C24C 1.393(1) 1_555 1_555 no
C25C C26C 1.393(1) 1_555 1_555 no
C25C C30C 1.393(1) 1_555 1_555 no
C26C C27C 1.393(1) 1_555 1_555 no
C27C C28C 1.383(1) 1_555 1_555 no
C28C C29C 1.383(1) 1_555 1_555 no
C29C C30C 1.393(1) 1_555 1_555 no
C31C C32C 1.393(1) 1_555 1_555 no
C31C C36C 1.393(1) 1_555 1_555 no
C32C C33C 1.393(1) 1_555 1_555 no
C33C C34C 1.383(1) 1_555 1_555 no
C34C C35C 1.383(1) 1_555 1_555 no
C35C C36C 1.393(1) 1_555 1_555 no
P1D C1D 1.816(6) 1_555 1_555 no
P1D C7D 1.759(6) 1_555 1_555 no
P1D C13D 1.770(7) 1_555 1_555 no
P1D O1D 1.405(27) 1_555 1_555 no
C1D C2D 1.393(1) 1_555 1_555 no
C1D C6D 1.393(1) 1_555 1_555 no
C2D C3D 1.393(1) 1_555 1_555 no
C3D C4D 1.383(1) 1_555 1_555 no
C4D C5D 1.383(1) 1_555 1_555 no
C5D C6D 1.393(1) 1_555 1_555 no
C7D C8D 1.393(1) 1_555 1_555 no
C7D C12D 1.393(1) 1_555 1_555 no
C8D C9D 1.393(1) 1_555 1_555 no
C9D C10D 1.383(1) 1_555 1_555 no
C10D C11D 1.383(1) 1_555 1_555 no
C11D C12D 1.393(1) 1_555 1_555 no
C13D C14D 1.393(1) 1_555 1_555 no
C13D C18D 1.393(1) 1_555 1_555 no
C14D C15D 1.393(1) 1_555 1_555 no
C15D C16D 1.383(1) 1_555 1_555 no
C16D C17D 1.383(1) 1_555 1_555 no
C17D C18D 1.393(1) 1_555 1_555 no
N1Nm1 C1Nm1 1.441(7) 1_555 1_555 no
N1Nm1 O1Nm1 1.196(3) 1_555 1_555 no
N1Nm1 O2Nm1 1.196(3) 1_555 1_555 no
N1Nm2 C1Nm2 1.441(7) 1_555 1_555 no
N1Nm2 O1Nm2 1.196(3) 1_555 1_555 no
N1Nm2 O2Nm2 1.196(3) 1_555 1_555 no
N1Nm3 C1Nm3 1.441(7) 1_555 1_555 no
N1Nm3 O1Nm3 1.196(3) 1_555 1_555 no
N1Nm3 O2Nm3 1.196(3) 1_555 1_555 no
N1Nm4 C1Nm4 1.441(7) 1_555 1_555 no
N1Nm4 O1Nm4 1.196(3) 1_555 1_555 no
N1Nm4 O2Nm4 1.196(3) 1_555 1_555 no

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O11 Cr O21 83.1(1) 1_555 1_555 1_555 no
O11 Cr O12 90.3(1) 1_555 1_555 1_555 no
O11 Cr O22 170.5(1) 1_555 1_555 1_555 no
O11 Cr O13 91.3(1) 1_555 1_555 1_555 no
O11 Cr O23 92.6(1) 1_555 1_555 1_555 no
O21 Cr O12 92.6(1) 1_555 1_555 1_555 no
O21 Cr O22 91.2(1) 1_555 1_555 1_555 no
O21 Cr O13 171.5(1) 1_555 1_555 1_555 no
O21 Cr O23 91.4(1) 1_555 1_555 1_555 no
O12 Cr O22 82.4(1) 1_555 1_555 1_555 no
O12 Cr O13 93.8(1) 1_555 1_555 1_555 no
O12 Cr O23 175.3(1) 1_555 1_555 1_555 no
O22 Cr O13 95.2(1) 1_555 1_555 1_555 no
O22 Cr O23 95.1(1) 1_555 1_555 1_555 no
O13 Cr O23 82.4(1) 1_555 1_555 1_555 no
Cr O11 C11 113.3(3) 1_555 1_555 1_555 no
Cr O21 C21 114.2(3) 1_555 1_555 1_555 no
C11 O31 AgA 114.3(3) 1_555 1_555 1_555 no
C21 O41 AgA 112.2(3) 1_555 1_555 1_555 no
O11 C11 O31 124.8(4) 1_555 1_555 1_555 no
O11 C11 C21 114.9(4) 1_555 1_555 1_555 no
O31 C11 C21 120.3(4) 1_555 1_555 1_555 no
O21 C21 O41 125.1(4) 1_555 1_555 1_555 no
O21 C21 C11 113.6(4) 1_555 1_555 1_555 no
O41 C21 C11 121.3(4) 1_555 1_555 1_555 no
O31 AgA O41 70.3(1) 1_555 1_555 1_555 no
O31 AgA P1A 106.59(9) 1_555 1_555 1_555 no
O31 AgA P2A 111.66(9) 1_555 1_555 1_555 no
O41 AgA P1A 103.51(8) 1_555 1_555 1_555 no
O41 AgA P2A 95.02(8) 1_555 1_555 1_555 no
P1A AgA P2A 141.24(5) 1_555 1_555 1_555 no
AgA P1A C1A 117.5(1) 1_555 1_555 1_555 no
AgA P1A C7A 118.9(1) 1_555 1_555 1_555 no
AgA P1A C13A 104.2(1) 1_555 1_555 1_555 no
C1A P1A C7A 104.7(2) 1_555 1_555 1_555 no
C1A P1A C13A 106.1(2) 1_555 1_555 1_555 no
C7A P1A C13A 104.0(2) 1_555 1_555 1_555 no
AgA P2A C19A 115.7(1) 1_555 1_555 1_555 no
AgA P2A C25A 112.5(1) 1_555 1_555 1_555 no
AgA P2A C31A 113.6(1) 1_555 1_555 1_555 no
C19A P2A C25A 105.1(2) 1_555 1_555 1_555 no
C19A P2A C31A 106.0(2) 1_555 1_555 1_555 no
C25A P2A C31A 102.8(2) 1_555 1_555 1_555 no
P1A C1A C2A 118.1(2) 1_555 1_555 1_555 no
P1A C1A C6A 122.6(2) 1_555 1_555 1_555 no
C2A C1A C6A 119.3(1) 1_555 1_555 1_555 no
C1A C2A C3A 120.24(9) 1_555 1_555 1_555 no
C2A C3A C4A 120.0(1) 1_555 1_555 1_555 no
C3A C4A C5A 120.2(1) 1_555 1_555 1_555 no
C4A C5A C6A 120.0(1) 1_555 1_555 1_555 no
C1A C6A C5A 120.24(9) 1_555 1_555 1_555 no
P1A C7A C8A 121.9(2) 1_555 1_555 1_555 no
P1A C7A C12A 118.7(2) 1_555 1_555 1_555 no
C8A C7A C12A 119.3(1) 1_555 1_555 1_555 no
C7A C8A C9A 120.24(9) 1_555 1_555 1_555 no
C8A C9A C10A 120.0(1) 1_555 1_555 1_555 no
C9A C10A C11A 120.2(1) 1_555 1_555 1_555 no
C10A C11A C12A 120.0(1) 1_555 1_555 1_555 no
C7A C12A C11A 120.24(9) 1_555 1_555 1_555 no
P1A C13A C14A 116.6(2) 1_555 1_555 1_555 no
P1A C13A C18A 124.0(2) 1_555 1_555 1_555 no
C14A C13A C18A 119.3(1) 1_555 1_555 1_555 no
C13A C14A C15A 120.24(9) 1_555 1_555 1_555 no
C14A C15A C16A 120.0(1) 1_555 1_555 1_555 no
C15A C16A C17A 120.2(1) 1_555 1_555 1_555 no
C16A C17A C18A 120.0(1) 1_555 1_555 1_555 no
C13A C18A C17A 120.24(9) 1_555 1_555 1_555 no
P2A C19A C20A 118.1(2) 1_555 1_555 1_555 no
P2A C19A C24A 122.6(2) 1_555 1_555 1_555 no
C20A C19A C24A 119.3(1) 1_555 1_555 1_555 no
C19A C20A C21A 120.24(9) 1_555 1_555 1_555 no
C20A C21A C22A 120.0(1) 1_555 1_555 1_555 no
C21A C22A C23A 120.2(1) 1_555 1_555 1_555 no
C22A C23A C24A 120.0(1) 1_555 1_555 1_555 no
C19A C24A C23A 120.24(9) 1_555 1_555 1_555 no
P2A C25A C26A 123.1(2) 1_555 1_555 1_555 no
P2A C25A C30A 117.6(2) 1_555 1_555 1_555 no
C26A C25A C30A 119.3(1) 1_555 1_555 1_555 no
C25A C26A C27A 120.24(9) 1_555 1_555 1_555 no
C26A C27A C28A 120.0(1) 1_555 1_555 1_555 no
C27A C28A C29A 120.2(1) 1_555 1_555 1_555 no
C28A C29A C30A 120.0(1) 1_555 1_555 1_555 no
C25A C30A C29A 120.24(9) 1_555 1_555 1_555 no
P2A C31A C32A 122.3(2) 1_555 1_555 1_555 no
P2A C31A C36A 118.4(2) 1_555 1_555 1_555 no
C32A C31A C36A 119.3(1) 1_555 1_555 1_555 no
C31A C32A C33A 120.24(9) 1_555 1_555 1_555 no
C32A C33A C34A 120.0(1) 1_555 1_555 1_555 no
C33A C34A C35A 120.2(1) 1_555 1_555 1_555 no
C34A C35A C36A 120.0(1) 1_555 1_555 1_555 no
C31A C36A C35A 120.24(9) 1_555 1_555 1_555 no
Cr O12 C12 113.8(3) 1_555 1_555 1_555 no
Cr O22 C22 113.4(3) 1_555 1_555 1_555 no
C12 O32 AgB 113.0(3) 1_555 1_555 1_555 no
C22 O42 AgB 113.1(3) 1_555 1_555 1_555 no
O12 C12 O32 125.5(4) 1_555 1_555 1_555 no
O12 C12 C22 113.9(4) 1_555 1_555 1_555 no
O32 C12 C22 120.6(4) 1_555 1_555 1_555 no
O22 C22 O42 125.5(4) 1_555 1_555 1_555 no
O22 C22 C12 113.7(4) 1_555 1_555 1_555 no
O42 C22 C12 120.8(4) 1_555 1_555 1_555 no
O32 AgB O42 70.8(1) 1_555 1_555 1_555 no
O32 AgB P1B 118.7(1) 1_555 1_555 1_555 no
O32 AgB P2B 94.3(1) 1_555 1_555 1_555 no
O42 AgB P1B 110.3(1) 1_555 1_555 1_555 no
O42 AgB P2B 115.6(1) 1_555 1_555 1_555 no
P1B AgB P2B 130.15(5) 1_555 1_555 1_555 no
AgB P1B C1B 117.5(2) 1_555 1_555 1_555 no
AgB P1B C7B 114.5(1) 1_555 1_555 1_555 no
AgB P1B C13B 109.5(2) 1_555 1_555 1_555 no
C1B P1B C7B 103.2(2) 1_555 1_555 1_555 no
C1B P1B C13B 106.2(2) 1_555 1_555 1_555 no
C7B P1B C13B 104.9(2) 1_555 1_555 1_555 no
AgB P2B C19B 107.5(1) 1_555 1_555 1_555 no
AgB P2B C25B 113.7(1) 1_555 1_555 1_555 no
AgB P2B C31B 119.6(1) 1_555 1_555 1_555 no
C19B P2B C25B 105.2(2) 1_555 1_555 1_555 no
C19B P2B C31B 105.8(2) 1_555 1_555 1_555 no
C25B P2B C31B 103.9(2) 1_555 1_555 1_555 no
P1B C1B C2B 117.4(3) 1_555 1_555 1_555 no
P1B C1B C6B 123.2(3) 1_555 1_555 1_555 no
C2B C1B C6B 119.3(1) 1_555 1_555 1_555 no
C1B C2B C3B 120.24(9) 1_555 1_555 1_555 no
C2B C3B C4B 120.0(1) 1_555 1_555 1_555 no
C3B C4B C5B 120.2(1) 1_555 1_555 1_555 no
C4B C5B C6B 120.0(1) 1_555 1_555 1_555 no
C1B C6B C5B 120.24(9) 1_555 1_555 1_555 no
P1B C7B C8B 123.2(2) 1_555 1_555 1_555 no
P1B C7B C12B 117.5(2) 1_555 1_555 1_555 no
C8B C7B C12B 119.3(1) 1_555 1_555 1_555 no
C7B C8B C9B 120.24(9) 1_555 1_555 1_555 no
C8B C9B C10B 120.0(1) 1_555 1_555 1_555 no
C9B C10B C11B 120.2(1) 1_555 1_555 1_555 no
C10B C11B C12B 120.0(1) 1_555 1_555 1_555 no
C7B C12B C11B 120.24(9) 1_555 1_555 1_555 no
P1B C13B C14B 123.8(2) 1_555 1_555 1_555 no
P1B C13B C18B 116.4(2) 1_555 1_555 1_555 no
C14B C13B C18B 119.3(1) 1_555 1_555 1_555 no
C13B C14B C15B 120.24(9) 1_555 1_555 1_555 no
C14B C15B C16B 120.0(1) 1_555 1_555 1_555 no
C15B C16B C17B 120.2(1) 1_555 1_555 1_555 no
C16B C17B C18B 120.0(1) 1_555 1_555 1_555 no
C13B C18B C17B 120.24(9) 1_555 1_555 1_555 no
P2B C19B C20B 117.6(2) 1_555 1_555 1_555 no
P2B C19B C24B 123.1(2) 1_555 1_555 1_555 no
C20B C19B C24B 119.3(1) 1_555 1_555 1_555 no
C19B C20B C21B 120.24(9) 1_555 1_555 1_555 no
C20B C21B C22B 120.0(1) 1_555 1_555 1_555 no
C21B C22B C23B 120.2(1) 1_555 1_555 1_555 no
C22B C23B C24B 120.0(1) 1_555 1_555 1_555 no
C19B C24B C23B 120.24(9) 1_555 1_555 1_555 no
P2B C25B C26B 117.7(2) 1_555 1_555 1_555 no
P2B C25B C30B 122.9(2) 1_555 1_555 1_555 no
C26B C25B C30B 119.3(1) 1_555 1_555 1_555 no
C25B C26B C27B 120.24(9) 1_555 1_555 1_555 no
C26B C27B C28B 120.0(1) 1_555 1_555 1_555 no
C27B C28B C29B 120.2(1) 1_555 1_555 1_555 no
C28B C29B C30B 120.0(1) 1_555 1_555 1_555 no
C25B C30B C29B 120.24(9) 1_555 1_555 1_555 no
P2B C31B C32B 122.3(2) 1_555 1_555 1_555 no
P2B C31B C36B 118.1(2) 1_555 1_555 1_555 no
C32B C31B C36B 119.3(1) 1_555 1_555 1_555 no
C31B C32B C33B 120.24(9) 1_555 1_555 1_555 no
C32B C33B C34B 120.0(1) 1_555 1_555 1_555 no
C33B C34B C35B 120.2(1) 1_555 1_555 1_555 no
C34B C35B C36B 120.0(1) 1_555 1_555 1_555 no
C31B C36B C35B 120.24(9) 1_555 1_555 1_555 no
Cr O13 C13 114.1(3) 1_555 1_555 1_555 no
Cr O23 C23 114.2(3) 1_555 1_555 1_555 no
C13 O33 AgC 114.6(3) 1_555 1_555 1_555 no
C23 O43 AgC 112.1(3) 1_555 1_555 1_555 no
O13 C13 O33 126.0(4) 1_555 1_555 1_555 no
O13 C13 C23 114.1(4) 1_555 1_555 1_555 no
O33 C13 C23 119.9(4) 1_555 1_555 1_555 no
O23 C23 O43 125.6(4) 1_555 1_555 1_555 no
O23 C23 C13 113.8(4) 1_555 1_555 1_555 no
O43 C23 C13 120.6(4) 1_555 1_555 1_555 no
O33 AgC O43 70.0(1) 1_555 1_555 1_555 no
O33 AgC P1C 116.74(9) 1_555 1_555 1_555 no
O33 AgC P2C 106.38(9) 1_555 1_555 1_555 no
O43 AgC P1C 98.23(9) 1_555 1_555 1_555 no
O43 AgC P2C 114.16(9) 1_555 1_555 1_555 no
P1C AgC P2C 132.88(4) 1_555 1_555 1_555 no
AgC P1C C1C 117.7(1) 1_555 1_555 1_555 no
AgC P1C C7C 115.9(1) 1_555 1_555 1_555 no
AgC P1C C13C 105.6(1) 1_555 1_555 1_555 no
C1C P1C C7C 104.5(2) 1_555 1_555 1_555 no
C1C P1C C13C 105.2(2) 1_555 1_555 1_555 no
C7C P1C C13C 106.9(2) 1_555 1_555 1_555 no
AgC P2C C19C 108.9(1) 1_555 1_555 1_555 no
AgC P2C C25C 114.6(1) 1_555 1_555 1_555 no
AgC P2C C31C 117.9(1) 1_555 1_555 1_555 no
C19C P2C C25C 106.0(2) 1_555 1_555 1_555 no
C19C P2C C31C 105.3(2) 1_555 1_555 1_555 no
C25C P2C C31C 103.1(2) 1_555 1_555 1_555 no
P1C C1C C2C 117.5(2) 1_555 1_555 1_555 no
P1C C1C C6C 123.1(2) 1_555 1_555 1_555 no
C2C C1C C6C 119.3(1) 1_555 1_555 1_555 no
C1C C2C C3C 120.24(9) 1_555 1_555 1_555 no
C2C C3C C4C 120.0(1) 1_555 1_555 1_555 no
C3C C4C C5C 120.2(1) 1_555 1_555 1_555 no
C4C C5C C6C 120.0(1) 1_555 1_555 1_555 no
C1C C6C C5C 120.24(9) 1_555 1_555 1_555 no
P1C C7C C8C 117.4(2) 1_555 1_555 1_555 no
P1C C7C C12C 123.2(2) 1_555 1_555 1_555 no
C8C C7C C12C 119.3(1) 1_555 1_555 1_555 no
C7C C8C C9C 120.24(9) 1_555 1_555 1_555 no
C8C C9C C10C 120.0(1) 1_555 1_555 1_555 no
C9C C10C C11C 120.2(1) 1_555 1_555 1_555 no
C10C C11C C12C 120.0(1) 1_555 1_555 1_555 no
C7C C12C C11C 120.24(9) 1_555 1_555 1_555 no
P1C C13C C14C 124.5(2) 1_555 1_555 1_555 no
P1C C13C C18C 115.8(2) 1_555 1_555 1_555 no
C14C C13C C18C 119.3(1) 1_555 1_555 1_555 no
C13C C14C C15C 120.24(9) 1_555 1_555 1_555 no
C14C C15C C16C 120.0(1) 1_555 1_555 1_555 no
C15C C16C C17C 120.2(1) 1_555 1_555 1_555 no
C16C C17C C18C 120.0(1) 1_555 1_555 1_555 no
C13C C18C C17C 120.24(9) 1_555 1_555 1_555 no
P2C C19C C20C 117.3(2) 1_555 1_555 1_555 no
P2C C19C C24C 123.2(2) 1_555 1_555 1_555 no
C20C C19C C24C 119.3(1) 1_555 1_555 1_555 no
C19C C20C C21C 120.24(9) 1_555 1_555 1_555 no
C20C C21C C22C 120.0(1) 1_555 1_555 1_555 no
C21C C22C C23C 120.2(1) 1_555 1_555 1_555 no
C22C C23C C24C 120.0(1) 1_555 1_555 1_555 no
C19C C24C C23C 120.24(9) 1_555 1_555 1_555 no
P2C C25C C26C 119.4(2) 1_555 1_555 1_555 no
P2C C25C C30C 121.3(2) 1_555 1_555 1_555 no
C26C C25C C30C 119.3(1) 1_555 1_555 1_555 no
C25C C26C C27C 120.24(9) 1_555 1_555 1_555 no
C26C C27C C28C 120.0(1) 1_555 1_555 1_555 no
C27C C28C C29C 120.2(1) 1_555 1_555 1_555 no
C28C C29C C30C 120.0(1) 1_555 1_555 1_555 no
C25C C30C C29C 120.24(9) 1_555 1_555 1_555 no
P2C C31C C32C 117.5(2) 1_555 1_555 1_555 no
P2C C31C C36C 123.2(2) 1_555 1_555 1_555 no
C32C C31C C36C 119.3(1) 1_555 1_555 1_555 no
C31C C32C C33C 120.24(9) 1_555 1_555 1_555 no
C32C C33C C34C 120.0(1) 1_555 1_555 1_555 no
C33C C34C C35C 120.2(1) 1_555 1_555 1_555 no
C34C C35C C36C 120.0(1) 1_555 1_555 1_555 no
C31C C36C C35C 120.24(9) 1_555 1_555 1_555 no
C1D P1D C7D 104.8(4) 1_555 1_555 1_555 no
C1D P1D C13D 108.5(4) 1_555 1_555 1_555 no
C1D P1D O1D 111.7(10) 1_555 1_555 1_555 no
C7D P1D C13D 103.0(4) 1_555 1_555 1_555 no
C7D P1D O1D 120.7(12) 1_555 1_555 1_555 no
C13D P1D O1D 107.4(13) 1_555 1_555 1_555 no
P1D C1D C2D 123.4(5) 1_555 1_555 1_555 no
P1D C1D C6D 117.3(5) 1_555 1_555 1_555 no
C2D C1D C6D 119.3(1) 1_555 1_555 1_555 no
C1D C2D C3D 120.24(9) 1_555 1_555 1_555 no
C2D C3D C4D 120.0(1) 1_555 1_555 1_555 no
C3D C4D C5D 120.2(1) 1_555 1_555 1_555 no
C4D C5D C6D 120.0(1) 1_555 1_555 1_555 no
C1D C6D C5D 120.24(9) 1_555 1_555 1_555 no
P1D C7D C8D 115.3(4) 1_555 1_555 1_555 no
P1D C7D C12D 125.1(4) 1_555 1_555 1_555 no
C8D C7D C12D 119.3(1) 1_555 1_555 1_555 no
C7D C8D C9D 120.24(9) 1_555 1_555 1_555 no
C8D C9D C10D 120.0(1) 1_555 1_555 1_555 no
C9D C10D C11D 120.2(1) 1_555 1_555 1_555 no
C10D C11D C12D 120.0(1) 1_555 1_555 1_555 no
C7D C12D C11D 120.24(9) 1_555 1_555 1_555 no
P1D C13D C14D 122.9(5) 1_555 1_555 1_555 no
P1D C13D C18D 117.8(5) 1_555 1_555 1_555 no
C14D C13D C18D 119.3(1) 1_555 1_555 1_555 no
C13D C14D C15D 120.24(9) 1_555 1_555 1_555 no
C14D C15D C16D 120.0(1) 1_555 1_555 1_555 no
C15D C16D C17D 120.2(1) 1_555 1_555 1_555 no
C16D C17D C18D 120.0(1) 1_555 1_555 1_555 no
C13D C18D C17D 120.24(9) 1_555 1_555 1_555 no
C1Nm1 N1Nm1 O1Nm1 121.6(3) 1_555 1_555 1_555 no
C1Nm1 N1Nm1 O2Nm1 121.6(3) 1_555 1_555 1_555 no
O1Nm1 N1Nm1 O2Nm1 116.8(5) 1_555 1_555 1_555 no
C1Nm2 N1Nm2 O1Nm2 121.6(3) 1_555 1_555 1_555 no
C1Nm2 N1Nm2 O2Nm2 121.6(3) 1_555 1_555 1_555 no
O1Nm2 N1Nm2 O2Nm2 116.8(5) 1_555 1_555 1_555 no
C1Nm3 N1Nm3 O1Nm3 121.6(3) 1_555 1_555 1_555 no
C1Nm3 N1Nm3 O2Nm3 121.6(3) 1_555 1_555 1_555 no
O1Nm3 N1Nm3 O2Nm3 116.8(5) 1_555 1_555 1_555 no
C1Nm4 N1Nm4 O1Nm4 121.6(3) 1_555 1_555 1_555 no
C1Nm4 N1Nm4 O2Nm4 121.6(3) 1_555 1_555 1_555 no
O1Nm4 N1Nm4 O2Nm4 116.8(5) 1_555 1_555 1_555 no


