#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/18/4331859.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4331859
loop_
_publ_author_name
'Zhong, Qi'
'Wang, Huaishan'
'Qian, Guodong'
'Wang, Zhiyu'
'Zhang, Jiahua'
'Qiu, Jianrong'
'Wang, Minquan'
_publ_section_title
;
 Novel Stoichiometrically Erbium−Ytterbium Cocrystalline Complex
 Exhibiting Enhanced Near-Infrared Luminescence
;
_journal_issue                   11
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4537
_journal_page_last               4543
_journal_paper_doi               10.1021/ic051697y
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C51 H30 F18 Er O8 P2 '
_chemical_formula_sum            'C51 H30 Er F18 O8 P2'
_chemical_formula_weight         1341.97
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.4940(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.4229(5)
_cell_length_b                   15.5910(3)
_cell_length_c                   20.5218(8)
_cell_measurement_reflns_used    44035
_cell_measurement_temperature    293(1)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      1.3
_cell_volume                     5564.2(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9884
_diffrn_measured_fraction_theta_max 0.9757
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            47260
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.33
_exptl_absorpt_coefficient_mu    1.673
_exptl_absorpt_correction_T_max  0.740
_exptl_absorpt_correction_T_min  0.587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2640.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     721
_refine_ls_number_reflns         7240
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0120
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo² + 1.0000σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                7272
_reflns_number_total             12285
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic051697ysup1.cif
_cod_data_source_block           '_WHS1_____________________'
_cod_original_formula_sum        'C51 H30 F18 Er O8 P2 '
_cod_database_code               4331859
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+Z
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
Er(1) Er 0.25797(1) 0.26545(1) 0.48983(1) 0.04299(7) Uani 1.00 1 d .
P(1) P 0.13546(9) 0.36640(9) 0.60525(8) 0.0526(4) Uani 1.00 1 d .
P(2) P 0.31466(9) 0.07030(9) 0.40680(8) 0.0513(4) Uani 1.00 1 d .
F(1) F -0.0071(5) 0.1143(5) 0.3584(5) 0.234(4) Uani 1.00 1 d .
F(2) F -0.0100(5) 0.1255(5) 0.4508(5) 0.243(5) Uani 1.00 1 d .
F(3) F 0.0638(3) 0.0458(3) 0.4136(5) 0.200(3) Uani 1.00 1 d .
F(4) F 0.1714(5) 0.3895(5) 0.2708(4) 0.216(4) Uani 1.00 1 d .
F(5) F 0.0576(4) 0.3908(5) 0.2855(4) 0.219(4) Uani 1.00 1 d .
F(6) F 0.1296(6) 0.4656(4) 0.3385(4) 0.202(4) Uani 1.00 1 d .
F(7) F 0.4198(6) 0.3120(9) 0.3035(4) 0.295(6) Uani 1.00 1 d .
F(8) F 0.4894(4) 0.4096(4) 0.3369(3) 0.157(3) Uani 1.00 1 d .
F(9) F 0.5028(6) 0.2890(6) 0.3728(6) 0.255(5) Uani 1.00 1 d .
F(10) F 0.3974(4) 0.5960(4) 0.4916(4) 0.202(3) Uani 1.00 1 d .
F(11) F 0.2844(6) 0.5902(4) 0.4793(6) 0.236(5) Uani 1.00 1 d .
F(12) F 0.3308(8) 0.5554(5) 0.5643(4) 0.266(5) Uani 1.00 1 d .
F(13) F 0.5210(4) 0.2203(7) 0.6050(6) 0.276(6) Uani 1.00 1 d .
F(14) F 0.4823(4) 0.3378(5) 0.6328(4) 0.185(3) Uani 1.00 1 d .
F(15) F 0.4873(5) 0.2402(7) 0.6964(5) 0.258(5) Uani 1.00 1 d .
F(16) F 0.2182(6) 0.0171(4) 0.6387(4) 0.229(4) Uani 1.00 1 d .
F(17) F 0.2743(5) 0.0553(7) 0.7149(4) 0.278(5) Uani 1.00 1 d .
F(18) F 0.1770(5) 0.1083(5) 0.6887(5) 0.239(5) Uani 1.00 1 d .
O(1) O 0.1673(2) 0.3274(2) 0.5463(2) 0.061(1) Uani 1.00 1 d .
O(2) O 0.2990(2) 0.1381(2) 0.4553(2) 0.061(1) Uani 1.00 1 d .
O(3) O 0.1461(2) 0.1837(2) 0.4565(2) 0.060(1) Uani 1.00 1 d .
O(4) O 0.1979(2) 0.3312(2) 0.4007(2) 0.064(1) Uani 1.00 1 d .
O(5) O 0.3552(2) 0.2941(3) 0.4183(2) 0.067(1) Uani 1.00 1 d .
O(6) O 0.2938(2) 0.4103(2) 0.5041(2) 0.065(1) Uani 1.00 1 d .
O(7) O 0.3679(2) 0.2672(3) 0.5591(2) 0.065(1) Uani 1.00 1 d .
O(8) O 0.2370(2) 0.1729(2) 0.5780(2) 0.063(1) Uani 1.00 1 d .
C(1) C 0.1978(4) 0.3549(4) 0.6775(3) 0.065(2) Uani 1.00 1 d .
C(2) C 0.2703(4) 0.3898(5) 0.6774(4) 0.086(3) Uani 1.00 1 d .
C(3) C 0.3225(5) 0.3809(7) 0.7311(6) 0.113(4) Uani 1.00 1 d .
C(4) C 0.2987(7) 0.3367(7) 0.7847(5) 0.119(4) Uani 1.00 1 d .
C(5) C 0.2278(7) 0.3026(6) 0.7853(5) 0.113(4) Uani 1.00 1 d .
C(6) C 0.1767(5) 0.3116(5) 0.7323(4) 0.089(3) Uani 1.00 1 d .
C(7) C 0.0460(3) 0.3170(4) 0.6198(3) 0.055(2) Uani 1.00 1 d .
C(8) C -0.0101(4) 0.3581(5) 0.6534(4) 0.081(3) Uani 1.00 1 d .
C(9) C -0.0781(5) 0.3169(6) 0.6641(4) 0.103(3) Uani 1.00 1 d .
C(10) C -0.0908(5) 0.2363(6) 0.6432(5) 0.104(3) Uani 1.00 1 d .
C(11) C -0.0368(5) 0.1949(5) 0.6101(5) 0.111(3) Uani 1.00 1 d .
C(12) C 0.0326(4) 0.2353(4) 0.5982(4) 0.078(2) Uani 1.00 1 d .
C(13) C 0.1202(3) 0.4790(4) 0.5933(3) 0.056(2) Uani 1.00 1 d .
C(14) C 0.1228(4) 0.5363(4) 0.6449(4) 0.083(3) Uani 1.00 1 d .
C(15) C 0.1109(5) 0.6226(5) 0.6321(5) 0.104(3) Uani 1.00 1 d .
C(16) C 0.0955(5) 0.6518(5) 0.5715(6) 0.105(4) Uani 1.00 1 d .
C(17) C 0.0928(5) 0.5966(6) 0.5204(5) 0.106(3) Uani 1.00 1 d .
C(18) C 0.1057(4) 0.5090(5) 0.5303(4) 0.083(3) Uani 1.00 1 d .
C(19) C 0.4144(3) 0.0684(3) 0.3925(3) 0.054(2) Uani 1.00 1 d .
C(20) C 0.4422(4) 0.0403(5) 0.3354(4) 0.080(2) Uani 1.00 1 d .
C(21) C 0.5206(5) 0.0399(6) 0.3281(5) 0.100(3) Uani 1.00 1 d .
C(22) C 0.5706(4) 0.0654(5) 0.3772(5) 0.096(3) Uani 1.00 1 d .
C(23) C 0.5434(5) 0.0920(6) 0.4341(5) 0.102(3) Uani 1.00 1 d .
C(24) C 0.4655(4) 0.0943(5) 0.4420(4) 0.080(2) Uani 1.00 1 d .
C(25) C 0.2884(3) -0.0331(4) 0.4373(3) 0.056(2) Uani 1.00 1 d .
C(26) C 0.2367(4) -0.0362(4) 0.4852(4) 0.072(2) Uani 1.00 1 d .
C(27) C 0.2162(4) -0.1149(5) 0.5100(4) 0.094(3) Uani 1.00 1 d .
C(28) C 0.2467(5) -0.1887(5) 0.4873(5) 0.093(3) Uani 1.00 1 d .
C(29) C 0.2971(4) -0.1856(4) 0.4390(4) 0.084(3) Uani 1.00 1 d .
C(30) C 0.3187(4) -0.1085(4) 0.4143(3) 0.065(2) Uani 1.00 1 d .
C(31) C 0.2612(3) 0.0858(4) 0.3303(3) 0.059(2) Uani 1.00 1 d .
C(32) C 0.2097(5) 0.0275(5) 0.3037(4) 0.099(3) Uani 1.00 1 d .
C(33) C 0.1668(6) 0.0461(7) 0.2454(5) 0.133(4) Uani 1.00 1 d .
C(34) C 0.1777(6) 0.1224(7) 0.2145(5) 0.113(4) Uani 1.00 1 d .
C(35) C 0.2285(5) 0.1798(6) 0.2391(4) 0.096(3) Uani 1.00 1 d .
C(36) C 0.2707(4) 0.1642(5) 0.2980(4) 0.076(2) Uani 1.00 1 d .
C(37) C 0.0956(3) 0.1898(4) 0.4122(3) 0.059(2) Uani 1.00 1 d .
C(38) C 0.0853(4) 0.2533(4) 0.3651(4) 0.076(2) Uani 1.00 1 d .
C(39) C 0.1381(4) 0.3202(4) 0.3655(3) 0.067(2) Uani 1.00 1 d .
C(40) C 0.0378(4) 0.1170(5) 0.4101(5) 0.084(3) Uani 1.00 1 d .
C(41) C 0.1259(6) 0.3909(7) 0.3150(5) 0.107(4) Uani 1.00 1 d .
C(42) C 0.3947(4) 0.3574(4) 0.4064(4) 0.068(2) Uani 1.00 1 d .
C(43) C 0.3945(4) 0.4386(5) 0.4350(4) 0.081(3) Uani 1.00 1 d .
C(44) C 0.3423(4) 0.4581(4) 0.4806(4) 0.071(2) Uani 1.00 1 d .
C(45) C 0.4507(7) 0.3442(6) 0.3531(6) 0.118(4) Uani 1.00 1 d .
C(46) C 0.3426(8) 0.5476(5) 0.5071(7) 0.120(4) Uani 1.00 1 d .
C(47) C 0.3900(4) 0.2296(5) 0.6106(4) 0.075(2) Uani 1.00 1 d .
C(48) C 0.3514(4) 0.1719(5) 0.6469(4) 0.078(2) Uani 1.00 1 d .
C(49) C 0.2778(4) 0.1485(4) 0.6273(3) 0.066(2) Uani 1.00 1 d .
C(50) C 0.4736(6) 0.2549(8) 0.6331(7) 0.132(5) Uani 1.00 1 d .
C(51) C 0.2361(7) 0.0837(5) 0.6670(4) 0.095(3) Uani 1.00 1 d .
H(1) H 0.2848 0.4209 0.6385 0.103 Uiso 1.00 1 c R
H(2) H 0.3742 0.4056 0.7309 0.134 Uiso 1.00 1 c R
H(3) H 0.3355 0.3306 0.8225 0.141 Uiso 1.00 1 c R
H(4) H 0.2144 0.2711 0.8243 0.135 Uiso 1.00 1 c R
H(5) H 0.1246 0.2878 0.7329 0.106 Uiso 1.00 1 c R
H(6) H -0.0014 0.4169 0.6692 0.098 Uiso 1.00 1 c R
H(7) H -0.1182 0.3467 0.6868 0.126 Uiso 1.00 1 c R
H(8) H -0.1389 0.2072 0.6520 0.126 Uiso 1.00 1 c R
H(9) H -0.0460 0.1361 0.5947 0.134 Uiso 1.00 1 c R
H(10) H 0.0720 0.2055 0.5746 0.094 Uiso 1.00 1 c R
H(11) H 0.1336 0.5152 0.6895 0.100 Uiso 1.00 1 c R
H(12) H 0.1142 0.6634 0.6685 0.126 Uiso 1.00 1 c R
H(13) H 0.0857 0.7129 0.5635 0.127 Uiso 1.00 1 c R
H(14) H 0.0826 0.6182 0.4759 0.127 Uiso 1.00 1 c R
H(15) H 0.1039 0.4688 0.4936 0.098 Uiso 1.00 1 c R
H(16) H 0.4064 0.0213 0.2997 0.096 Uiso 1.00 1 c R
H(17) H 0.5406 0.0202 0.2870 0.121 Uiso 1.00 1 c R
H(18) H 0.6261 0.0647 0.3721 0.115 Uiso 1.00 1 c R
H(19) H 0.5792 0.1107 0.4699 0.122 Uiso 1.00 1 c R
H(20) H 0.4463 0.1146 0.4832 0.096 Uiso 1.00 1 c R
H(21) H 0.2150 0.0169 0.5020 0.087 Uiso 1.00 1 c R
H(22) H 0.1780 -0.1177 0.5431 0.114 Uiso 1.00 1 c R
H(23) H 0.2318 -0.2437 0.5058 0.112 Uiso 1.00 1 c R
H(24) H 0.3187 -0.2391 0.4231 0.101 Uiso 1.00 1 c R
H(25) H 0.3559 -0.1063 0.3804 0.078 Uiso 1.00 1 c R
H(26) H 0.2023 -0.0268 0.3266 0.117 Uiso 1.00 1 c R
H(27) H 0.1303 0.0043 0.2258 0.157 Uiso 1.00 1 c R
H(28) H 0.1476 0.1355 0.1738 0.134 Uiso 1.00 1 c R
H(29) H 0.2355 0.2341 0.2162 0.116 Uiso 1.00 1 c R
H(30) H 0.3071 0.2066 0.3170 0.091 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Er Er -0.259 4.958
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Er(1) O(1) P(1) 155.1(2)
O(2) Er(1) O(1) 142.8(1)
O(3) Er(1) O(1) 77.9(1)
O(4) Er(1) O(1) 85.3(1)
O(5) Er(1) O(1) 143.2(1)
O(6) Er(1) O(1) 73.2(1)
O(7) Er(1) O(1) 105.1(1)
O(8) Er(1) O(1) 73.7(1)
Er(1) O(2) P(2) 156.3(2)
O(3) Er(1) O(2) 73.0(1)
O(4) Er(1) O(2) 106.5(1)
O(5) Er(1) O(2) 73.5(1)
O(6) Er(1) O(2) 143.3(1)
O(7) Er(1) O(2) 86.4(1)
O(8) Er(1) O(2) 76.5(1)
O(4) Er(1) O(3) 71.7(1)
O(5) Er(1) O(3) 121.9(1)
O(6) Er(1) O(3) 138.7(1)
O(7) Er(1) O(3) 144.2(1)
O(8) Er(1) O(3) 74.5(1)
Er(1) O(3) C(37) 134.7(4)
O(5) Er(1) O(4) 74.2(1)
O(6) Er(1) O(4) 77.1(1)
O(7) Er(1) O(4) 143.6(1)
O(8) Er(1) O(4) 143.1(1)
Er(1) O(4) C(39) 136.8(4)
O(6) Er(1) O(5) 72.5(1)
O(7) Er(1) O(5) 77.3(1)
O(8) Er(1) O(5) 138.2(1)
Er(1) O(5) C(42) 134.9(4)
O(7) Er(1) O(6) 73.1(1)
O(8) Er(1) O(6) 122.9(1)
Er(1) O(6) C(44) 134.9(4)
O(8) Er(1) O(7) 72.4(1)
Er(1) O(7) C(47) 135.7(4)
Er(1) O(8) C(49) 134.0(4)
C(1) P(1) O(1) 113.2(3)
C(7) P(1) O(1) 109.4(3)
C(13) P(1) O(1) 110.4(3)
P(1) C(1) C(2) 118.0(5)
P(1) C(1) C(6) 123.0(5)
C(7) P(1) C(1) 108.1(3)
C(13) P(1) C(1) 106.8(3)
P(1) C(7) C(8) 122.3(5)
P(1) C(7) C(12) 118.9(5)
C(13) P(1) C(7) 108.8(3)
P(1) C(13) C(14) 122.1(5)
P(1) C(13) C(18) 118.5(5)
C(19) P(2) O(2) 110.0(2)
C(25) P(2) O(2) 110.0(3)
C(31) P(2) O(2) 112.5(3)
P(2) C(19) C(20) 123.2(5)
P(2) C(19) C(24) 118.0(5)
C(25) P(2) C(19) 108.3(3)
C(31) P(2) C(19) 108.6(3)
P(2) C(25) C(26) 118.2(5)
P(2) C(25) C(30) 122.2(5)
C(31) P(2) C(25) 107.2(3)
P(2) C(31) C(32) 123.6(5)
P(2) C(31) C(36) 117.4(5)
F(1) C(40) C(37) 114.8(8)
F(1) C(40) F(2) 99.4(8)
F(1) C(40) F(3) 103.3(8)
F(2) C(40) C(37) 112.2(8)
F(2) C(40) F(3) 109.2(9)
F(3) C(40) C(37) 116.4(6)
F(4) C(41) C(39) 114.7(9)
F(4) C(41) F(5) 105.5(9)
F(4) C(41) F(6) 106.0(9)
F(5) C(41) C(39) 113.7(9)
F(5) C(41) F(6) 101.6(9)
F(6) C(41) C(39) 114.0(8)
F(7) C(45) C(42) 112(1)
F(7) C(45) F(8) 108(1)
F(7) C(45) F(9) 104(1)
F(8) C(45) C(42) 116.7(8)
F(8) C(45) F(9) 103(1)
F(9) C(45) C(42) 109(1)
F(10) C(46) C(44) 116(1)
F(10) C(46) F(11) 99.3(9)
F(10) C(46) F(12) 110(1)
F(11) C(46) C(44) 109(1)
F(11) C(46) F(12) 101(1)
F(12) C(46) C(44) 116.7(9)
F(13) C(50) C(47) 114(1)
F(13) C(50) F(14) 111(1)
F(13) C(50) F(15) 108(1)
F(14) C(50) C(47) 111.0(8)
F(14) C(50) F(15) 99(1)
F(15) C(50) C(47) 110(1)
F(16) C(51) C(49) 115.5(8)
F(16) C(51) F(17) 100.5(9)
F(16) C(51) F(18) 104(1)
F(17) C(51) C(49) 114.5(9)
F(17) C(51) F(18) 104.5(9)
F(18) C(51) C(49) 115.7(8)
O(3) C(37) C(38) 128.8(6)
O(3) C(37) C(40) 114.0(6)
O(4) C(39) C(38) 129.6(6)
O(4) C(39) C(41) 112.0(6)
O(5) C(42) C(43) 128.8(7)
O(5) C(42) C(45) 115.0(6)
O(6) C(44) C(43) 128.5(6)
O(6) C(44) C(46) 113.9(8)
O(7) C(47) C(48) 129.2(7)
O(7) C(47) C(50) 111.6(7)
O(8) C(49) C(48) 128.9(6)
O(8) C(49) C(51) 111.6(6)
C(6) C(1) C(2) 119.0(7)
C(1) C(2) C(3) 121.0(8)
C(1) C(6) C(5) 120.2(8)
C(2) C(3) C(4) 117.8(9)
C(3) C(4) C(5) 121(1)
C(4) C(5) C(6) 120.4(9)
C(12) C(7) C(8) 118.8(6)
C(7) C(8) C(9) 120.2(7)
C(7) C(12) C(11) 119.8(7)
C(8) C(9) C(10) 120.8(8)
C(9) C(10) C(11) 120.0(8)
C(10) C(11) C(12) 120.4(8)
C(18) C(13) C(14) 119.4(6)
C(13) C(14) C(15) 119.1(7)
C(13) C(18) C(17) 119.0(7)
C(14) C(15) C(16) 121.8(8)
C(15) C(16) C(17) 119.9(8)
C(16) C(17) C(18) 120.7(9)
C(24) C(19) C(20) 118.8(6)
C(19) C(20) C(21) 119.9(7)
C(19) C(24) C(23) 120.3(7)
C(20) C(21) C(22) 120.8(8)
C(21) C(22) C(23) 119.5(8)
C(22) C(23) C(24) 120.7(8)
C(30) C(25) C(26) 119.6(6)
C(25) C(26) C(27) 119.2(6)
C(25) C(30) C(29) 120.2(6)
C(26) C(27) C(28) 120.6(8)
C(27) C(28) C(29) 120.0(7)
C(28) C(29) C(30) 120.3(7)
C(36) C(31) C(32) 118.9(6)
C(31) C(32) C(33) 120.4(8)
C(31) C(36) C(35) 119.3(7)
C(32) C(33) C(34) 119.7(9)
C(33) C(34) C(35) 121.0(9)
C(34) C(35) C(36) 120.8(8)
C(37) C(38) C(39) 118.3(6)
C(40) C(37) C(38) 117.2(6)
C(38) C(39) C(41) 118.4(7)
C(42) C(43) C(44) 120.2(7)
C(45) C(42) C(43) 116.2(7)
C(43) C(44) C(46) 117.6(8)
C(47) C(48) C(49) 119.8(7)
C(50) C(47) C(48) 119.1(8)
C(48) C(49) C(51) 119.5(7)
C(1) C(2) H(1) 118.6589
C(1) C(6) H(5) 119.2219
H(1) C(2) C(3) 120.3132
C(2) C(3) H(2) 120.8984
H(2) C(3) C(4) 121.2998
C(3) C(4) H(3) 117.7177
H(3) C(4) C(5) 120.7371
C(4) C(5) H(4) 118.0703
C(5) C(6) H(5) 120.5352
H(4) C(5) C(6) 121.5239
C(7) C(8) H(6) 119.7610
C(7) C(12) H(10) 119.4676
H(6) C(8) C(9) 120.0651
C(8) C(9) H(7) 119.8989
H(7) C(9) C(10) 119.2696
C(9) C(10) H(8) 120.0217
C(10) C(11) H(9) 120.0925
H(8) C(10) C(11) 119.9910
C(11) C(12) H(10) 120.7494
H(9) C(11) C(12) 119.4689
C(13) C(14) H(11) 119.4625
C(13) C(18) H(15) 119.8786
H(11) C(14) C(15) 121.4534
C(14) C(15) H(12) 119.1422
H(12) C(15) C(16) 119.0617
C(15) C(16) H(13) 120.6778
C(16) C(17) H(14) 119.9429
H(13) C(16) C(17) 119.3972
C(17) C(18) H(15) 121.0671
H(14) C(17) C(18) 119.3207
C(19) C(20) H(16) 119.7786
C(19) C(24) H(20) 119.6094
H(16) C(20) C(21) 120.2935
C(20) C(21) H(17) 119.9636
H(17) C(21) C(22) 119.2297
C(21) C(22) H(18) 120.8331
C(22) C(23) H(19) 119.9747
H(18) C(22) C(23) 119.7073
C(23) C(24) H(20) 120.0807
H(19) C(23) C(24) 119.3648
C(25) C(26) H(21) 120.3740
C(25) C(30) H(25) 119.5465
H(21) C(26) C(27) 120.3797
C(26) C(27) H(22) 119.6553
H(22) C(27) C(28) 119.6893
C(27) C(28) H(23) 119.2174
H(23) C(28) C(29) 120.7502
C(28) C(29) H(24) 119.3233
C(29) C(30) H(25) 120.2742
H(24) C(29) C(30) 120.3543
C(31) C(32) H(26) 119.0396
C(31) C(36) H(30) 119.3982
H(26) C(32) C(33) 120.5682
C(32) C(33) H(27) 120.7474
H(27) C(33) C(34) 119.5740
C(33) C(34) H(28) 119.6357
C(34) C(35) H(29) 119.6805
H(28) C(34) C(35) 119.4007
C(35) C(36) H(30) 121.3412
H(29) C(35) C(36) 119.4798
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Er(1) O(1) 2.235(4)
Er(1) O(2) 2.240(4)
Er(1) O(3) 2.393(4)
Er(1) O(4) 2.293(4)
Er(1) O(5) 2.350(4)
Er(1) O(6) 2.356(4)
Er(1) O(7) 2.315(4)
Er(1) O(8) 2.360(4)
P(1) O(1) 1.491(4)
P(1) C(1) 1.792(7)
P(1) C(7) 1.780(6)
P(1) C(13) 1.790(6)
P(2) O(2) 1.489(4)
P(2) C(19) 1.781(6)
P(2) C(25) 1.798(6)
P(2) C(31) 1.792(6)
F(1) C(40) 1.28(1)
F(2) C(40) 1.22(1)
F(3) C(40) 1.199(9)
F(4) C(41) 1.24(1)
F(5) C(41) 1.30(1)
F(6) C(41) 1.26(1)
F(7) C(45) 1.23(2)
F(8) C(45) 1.28(1)
F(9) C(45) 1.30(1)
F(10) C(46) 1.27(1)
F(11) C(46) 1.31(2)
F(12) C(46) 1.21(2)
F(13) C(50) 1.17(2)
F(14) C(50) 1.30(1)
F(15) C(50) 1.33(2)
F(16) C(51) 1.22(1)
F(17) C(51) 1.24(1)
F(18) C(51) 1.21(1)
O(3) C(37) 1.230(7)
O(4) C(39) 1.242(8)
O(5) C(42) 1.236(8)
O(6) C(44) 1.246(8)
O(7) C(47) 1.247(9)
O(8) C(49) 1.259(8)
C(1) C(2) 1.38(1)
C(1) C(6) 1.38(1)
C(2) C(3) 1.39(1)
C(3) C(4) 1.38(2)
C(4) C(5) 1.35(2)
C(5) C(6) 1.37(1)
C(7) C(8) 1.387(9)
C(7) C(12) 1.364(9)
C(8) C(9) 1.38(1)
C(9) C(10) 1.34(1)
C(10) C(11) 1.36(1)
C(11) C(12) 1.40(1)
C(13) C(14) 1.384(9)
C(13) C(18) 1.38(1)
C(14) C(15) 1.38(1)
C(15) C(16) 1.34(2)
C(16) C(17) 1.35(1)
C(17) C(18) 1.40(1)
C(19) C(20) 1.37(1)
C(19) C(24) 1.371(9)
C(20) C(21) 1.38(1)
C(21) C(22) 1.35(1)
C(22) C(23) 1.35(1)
C(23) C(24) 1.38(1)
C(25) C(26) 1.375(9)
C(25) C(30) 1.384(8)
C(26) C(27) 1.38(1)
C(27) C(28) 1.36(1)
C(28) C(29) 1.36(1)
C(29) C(30) 1.366(9)
C(31) C(32) 1.37(1)
C(31) C(36) 1.405(9)
C(32) C(33) 1.40(1)
C(33) C(34) 1.37(2)
C(34) C(35) 1.34(1)
C(35) C(36) 1.40(1)
C(37) C(38) 1.39(1)
C(37) C(40) 1.516(9)
C(38) C(39) 1.39(1)
C(39) C(41) 1.52(1)
C(42) C(43) 1.40(1)
C(42) C(45) 1.52(1)
C(43) C(44) 1.38(1)
C(44) C(46) 1.50(1)
C(47) C(48) 1.37(1)
C(47) C(50) 1.55(1)
C(48) C(49) 1.37(1)
C(49) C(51) 1.51(1)
C(2) H(1) 0.9800
C(3) H(2) 0.9800
C(4) H(3) 0.9800
C(5) H(4) 0.9800
C(6) H(5) 0.9800
C(8) H(6) 0.9800
C(9) H(7) 0.9800
C(10) H(8) 0.9800
C(11) H(9) 0.9800
C(12) H(10) 0.9800
C(14) H(11) 0.9800
C(15) H(12) 0.9800
C(16) H(13) 0.9800
C(17) H(14) 0.9800
C(18) H(15) 0.9800
C(20) H(16) 0.9800
C(21) H(17) 0.9800
C(22) H(18) 0.9800
C(23) H(19) 0.9800
C(24) H(20) 0.9800
C(26) H(21) 0.9800
C(27) H(22) 0.9800
C(28) H(23) 0.9800
C(29) H(24) 0.9800
C(30) H(25) 0.9800
C(32) H(26) 0.9800
C(33) H(27) 0.9800
C(34) H(28) 0.9800
C(35) H(29) 0.9800
C(36) H(30) 0.9800
H(5) C(6) 0.9800
