#------------------------------------------------------------------------------
#$Date: 2018-09-10 13:15:54 +0300 (Mon, 10 Sep 2018) $
#$Revision: 210741 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/70/7117091.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7117091
loop_
_publ_author_name
'Scottwell, Synøve Ø.'
'Elliott, Anastasia B. S.'
'Shaffer, Karl J.'
'Nafady, Ayman'
'McAdam, C. John'
'Gordon, Keith C.'
'Crowley, James D.'
_publ_section_title
;
 Chemically and electrochemically induced expansion and contraction of a
 ferrocene rotor
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   38
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              8161
_journal_page_last               8164
_journal_paper_doi               10.1039/c5cc01973g
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C43 H39 Cu F12 N5 P2'
_chemical_formula_weight         979.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-01-29 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                90.0
_cell_angle_beta                 93.2975(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.70025(10)
_cell_length_b                   21.30927(15)
_cell_length_c                   15.21998(10)
_cell_measurement_reflns_used    25603
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      76.7390
_cell_measurement_theta_min      4.0410
_cell_volume                     4112.21(5)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean 5.1725
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0179
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            34019
_diffrn_reflns_theta_full        76.90
_diffrn_reflns_theta_max         76.90
_diffrn_reflns_theta_min         3.57
_exptl_absorpt_coefficient_mu    2.331
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1996
_exptl_crystal_size_max          0.5591
_exptl_crystal_size_mid          0.3735
_exptl_crystal_size_min          0.3089
_refine_diff_density_max         1.131
_refine_diff_density_min         -0.789
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         8565
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0669P)²+6.5148P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1234
_reflns_number_gt                8230
_reflns_number_total             8565
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc01973g2.cif
_cod_data_source_block           c:\users\sscott\desktop\cu(bip~1\sos130\sos130
_cod_database_code               7117091
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Cu1 Cu 0.79903(2) 0.174724(13) 0.317956(18) 0.01133(9) Uani 1 1 d . . .
P1 P 0.26049(4) 0.20313(3) 0.28138(4) 0.01914(13) Uani 1 1 d . . .
P2 P 0.73033(5) 0.01087(3) 0.95985(4) 0.02484(14) Uani 1 1 d . . .
F1 F 0.14729(11) 0.20201(8) 0.22754(9) 0.0313(3) Uani 1 1 d . . .
F2 F 0.30739(13) 0.24442(9) 0.20537(11) 0.0424(4) Uani 1 1 d . . .
F3 F 0.29348(16) 0.14182(9) 0.23276(15) 0.0570(6) Uani 1 1 d . . .
F4 F 0.21325(19) 0.16458(13) 0.35843(13) 0.0705(8) Uani 1 1 d . . .
F5 F 0.22810(14) 0.26661(9) 0.32906(13) 0.0497(5) Uani 1 1 d . . .
F6 F 0.37315(11) 0.20569(7) 0.33568(9) 0.0288(3) Uani 1 1 d . . .
F7 F 0.76696(17) -0.05849(9) 0.93481(15) 0.0616(6) Uani 1 1 d . . .
F8 F 0.69499(14) 0.07938(8) 0.98903(17) 0.0557(6) Uani 1 1 d . . .
F10 F 0.7092(3) 0.02441(18) 0.85880(16) 0.1089(12) Uani 1 1 d . . .
F11 F 0.84814(16) 0.03221(11) 0.9519(2) 0.0816(9) Uani 1 1 d . . .
F12 F 0.7521(3) -0.00510(15) 1.05935(13) 0.1016(12) Uani 1 1 d . . .
F13 F 0.61351(17) -0.01275(11) 0.9658(2) 0.0779(8) Uani 1 1 d . . .
N1 N 0.83679(13) 0.19282(8) 0.18739(11) 0.0119(3) Uani 1 1 d . . .
N2 N 0.91527(13) 0.10804(7) 0.29840(11) 0.0116(3) Uani 1 1 d . . .
N3 N 0.88328(13) 0.24529(8) 0.37795(11) 0.0137(3) Uani 1 1 d . . .
N4 N 0.70220(13) 0.19921(8) 0.40530(11) 0.0128(3) Uani 1 1 d . . .
N5 N 0.67667(13) 0.11503(8) 0.28676(11) 0.0138(3) Uani 1 1 d . . .
C1 C 0.87911(17) 0.35459(10) 0.19012(15) 0.0189(4) Uani 1 1 d . . .
H1A H 0.8748 0.3669 0.1280 0.028 Uiso 1 1 calc R . .
H1B H 0.9273 0.3189 0.1985 0.028 Uiso 1 1 calc R . .
H1C H 0.9054 0.3900 0.2262 0.028 Uiso 1 1 calc R . .
C2 C 0.77070(16) 0.33601(10) 0.21737(13) 0.0146(4) Uani 1 1 d . . .
C3 C 0.71725(17) 0.37394(9) 0.27437(13) 0.0161(4) Uani 1 1 d . . .
H3 H 0.7508 0.4106 0.2978 0.019 Uiso 1 1 calc R . .
C4 C 0.5610(2) 0.39921(11) 0.36325(16) 0.0252(5) Uani 1 1 d . . .
H4A H 0.4846 0.3928 0.3557 0.038 Uiso 1 1 calc R . .
H4B H 0.5774 0.4435 0.3534 0.038 Uiso 1 1 calc R . .
H4C H 0.5856 0.3873 0.4231 0.038 Uiso 1 1 calc R . .
C5 C 0.61537(17) 0.35933(10) 0.29797(13) 0.0168(4) Uani 1 1 d . . .
C6 C 0.56593(16) 0.30702(10) 0.25979(14) 0.0163(4) Uani 1 1 d . . .
H6 H 0.4956 0.2977 0.2734 0.020 Uiso 1 1 calc R . .
C7 C 0.55534(17) 0.21470(10) 0.15784(15) 0.0190(4) Uani 1 1 d . . .
H7A H 0.5188 0.1909 0.2021 0.028 Uiso 1 1 calc R . .
H7B H 0.6039 0.1869 0.1287 0.028 Uiso 1 1 calc R . .
H7C H 0.5035 0.2318 0.1141 0.028 Uiso 1 1 calc R . .
C8 C 0.61660(16) 0.26770(9) 0.20197(13) 0.0141(4) Uani 1 1 d . . .
C9 C 0.72123(16) 0.28128(9) 0.18380(12) 0.0129(4) Uani 1 1 d . . .
C10 C 0.78487(15) 0.23509(9) 0.13495(13) 0.0128(4) Uani 1 1 d . . .
C11 C 0.79357(17) 0.23431(10) 0.04406(13) 0.0166(4) Uani 1 1 d . . .
H11 H 0.7571 0.2642 0.0074 0.020 Uiso 1 1 calc R . .
C12 C 0.85663(17) 0.18895(10) 0.00816(13) 0.0177(4) Uani 1 1 d . . .
H12 H 0.8616 0.1867 -0.0538 0.021 Uiso 1 1 calc R . .
C13 C 0.91249(16) 0.14687(10) 0.06247(13) 0.0153(4) Uani 1 1 d . . .
H13 H 0.9576 0.1165 0.0386 0.018 Uiso 1 1 calc R . .
C14 C 0.90100(15) 0.15009(9) 0.15256(13) 0.0123(4) Uani 1 1 d . . .
C15 C 0.95348(15) 0.10633(9) 0.21749(13) 0.0128(4) Uani 1 1 d . . .
C16 C 1.03503(17) 0.06596(10) 0.19817(14) 0.0181(4) Uani 1 1 d . . .
H16 H 1.0617 0.0651 0.1411 0.022 Uiso 1 1 calc R . .
C17 C 1.07639(18) 0.02700(11) 0.26453(16) 0.0224(5) Uani 1 1 d . . .
H17 H 1.1335 -0.0002 0.2536 0.027 Uiso 1 1 calc R . .
C18 C 1.03478(18) 0.02758(10) 0.34679(15) 0.0197(4) Uani 1 1 d . . .
H18 H 1.0616 0.0002 0.3920 0.024 Uiso 1 1 calc R . .
C19 C 0.95319(16) 0.06887(9) 0.36207(13) 0.0133(4) Uani 1 1 d . . .
C20 C 0.89829(16) 0.07322(9) 0.44656(13) 0.0139(4) Uani 1 1 d . . .
C21 C 1.03970(18) 0.14777(11) 0.50855(15) 0.0224(4) Uani 1 1 d . . .
H21A H 1.0283 0.1929 0.4995 0.034 Uiso 1 1 calc R . .
H21B H 1.0775 0.1306 0.4596 0.034 Uiso 1 1 calc R . .
H21C H 1.0816 0.1410 0.5639 0.034 Uiso 1 1 calc R . .
C22 C 0.93481(17) 0.11525(9) 0.51275(13) 0.0159(4) Uani 1 1 d . . .
C23 C 0.87317(18) 0.12511(10) 0.58447(14) 0.0189(4) Uani 1 1 d . . .
H23 H 0.8968 0.1542 0.6287 0.023 Uiso 1 1 calc R . .
C24 C 0.7123(2) 0.10577(12) 0.67086(16) 0.0287(5) Uani 1 1 d . . .
H24A H 0.7514 0.0926 0.7252 0.043 Uiso 1 1 calc R . .
H24B H 0.6466 0.0818 0.6636 0.043 Uiso 1 1 calc R . .
H24C H 0.6960 0.1506 0.6742 0.043 Uiso 1 1 calc R . .
C25 C 0.77855(18) 0.09385(10) 0.59334(14) 0.0194(4) Uani 1 1 d . . .
C26 C 0.74720(17) 0.04963(10) 0.52946(15) 0.0194(4) Uani 1 1 d . . .
H26 H 0.6843 0.0264 0.5360 0.023 Uiso 1 1 calc R . .
C27 C 0.77005(19) -0.01182(10) 0.39139(16) 0.0229(5) Uani 1 1 d . . .
H27A H 0.7938 -0.0529 0.4138 0.034 Uiso 1 1 calc R . .
H27B H 0.8001 -0.0039 0.3346 0.034 Uiso 1 1 calc R . .
H27C H 0.6929 -0.0115 0.3838 0.034 Uiso 1 1 calc R . .
C28 C 0.80592(17) 0.03861(10) 0.45599(14) 0.0166(4) Uani 1 1 d . . .
C29 C 0.97704(16) 0.26720(10) 0.35674(14) 0.0170(4) Uani 1 1 d . . .
H29 H 1.0146 0.2452 0.3141 0.020 Uiso 1 1 calc R . .
C30 C 1.02161(18) 0.32110(10) 0.39488(15) 0.0206(4) Uani 1 1 d . . .
H30 H 1.0885 0.3356 0.3787 0.025 Uiso 1 1 calc R . .
C31 C 0.96661(18) 0.35322(10) 0.45684(15) 0.0209(4) Uani 1 1 d . . .
H31 H 0.9942 0.3909 0.4822 0.025 Uiso 1 1 calc R . .
C32 C 0.87063(17) 0.32968(10) 0.48145(14) 0.0181(4) Uani 1 1 d . . .
H32 H 0.8327 0.3503 0.5250 0.022 Uiso 1 1 calc R . .
C33 C 0.83128(16) 0.27542(9) 0.44114(13) 0.0143(4) Uani 1 1 d . . .
C34 C 0.73020(16) 0.24601(9) 0.46065(13) 0.0138(4) Uani 1 1 d . . .
C35 C 0.66712(17) 0.26164(10) 0.52902(13) 0.0177(4) Uani 1 1 d . . .
H35 H 0.6861 0.2949 0.5684 0.021 Uiso 1 1 calc R . .
C36 C 0.57576(17) 0.22726(11) 0.53793(14) 0.0197(4) Uani 1 1 d . . .
H36 H 0.5324 0.2363 0.5851 0.024 Uiso 1 1 calc R . .
C37 C 0.54665(17) 0.17979(10) 0.47880(14) 0.0184(4) Uani 1 1 d . . .
H37 H 0.4832 0.1568 0.4842 0.022 Uiso 1 1 calc R . .
C38 C 0.61293(16) 0.16679(10) 0.41139(13) 0.0141(4) Uani 1 1 d . . .
C39 C 0.59573(16) 0.11954(10) 0.34083(13) 0.0150(4) Uani 1 1 d . . .
C40 C 0.50430(17) 0.08448(10) 0.32662(15) 0.0197(4) Uani 1 1 d . . .
H40 H 0.4492 0.0873 0.3661 0.024 Uiso 1 1 calc R . .
C41 C 0.49457(18) 0.04520(11) 0.25382(16) 0.0227(5) Uani 1 1 d . . .
H41 H 0.4317 0.0218 0.2419 0.027 Uiso 1 1 calc R . .
C42 C 0.57719(18) 0.04049(10) 0.19875(15) 0.0212(4) Uani 1 1 d . . .
H42 H 0.5722 0.0136 0.1489 0.025 Uiso 1 1 calc R . .
C43 C 0.66757(17) 0.07587(10) 0.21771(14) 0.0173(4) Uani 1 1 d . . .
H43 H 0.7248 0.0722 0.1805 0.021 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N4 Cu1 N3 80.25(7) . .
N4 Cu1 N5 79.78(7) . .
N3 Cu1 N5 159.93(7) . .
N4 Cu1 N2 140.03(7) . .
N3 Cu1 N2 102.11(7) . .
N5 Cu1 N2 94.47(7) . .
N4 Cu1 N1 141.94(7) . .
N3 Cu1 N1 98.39(7) . .
N5 Cu1 N1 96.09(7) . .
N2 Cu1 N1 77.78(6) . .
F3 P1 F4 92.31(15) . .
F3 P1 F2 89.79(12) . .
F4 P1 F2 177.90(14) . .
F3 P1 F5 178.59(14) . .
F4 P1 F5 89.11(14) . .
F2 P1 F5 88.80(12) . .
F3 P1 F6 90.96(9) . .
F4 P1 F6 90.04(10) . .
F2 P1 F6 89.75(8) . .
F5 P1 F6 89.00(8) . .
F3 P1 F1 90.14(9) . .
F4 P1 F1 90.23(10) . .
F2 P1 F1 89.93(8) . .
F5 P1 F1 89.89(9) . .
F6 P1 F1 178.85(9) . .
F12 P2 F10 177.94(18) . .
F12 P2 F13 89.41(19) . .
F10 P2 F13 90.36(18) . .
F12 P2 F11 91.21(19) . .
F10 P2 F11 88.94(19) . .
F13 P2 F11 177.85(13) . .
F12 P2 F8 88.08(13) . .
F10 P2 F8 93.97(18) . .
F13 P2 F8 89.74(11) . .
F11 P2 F8 92.34(10) . .
F12 P2 F7 89.54(13) . .
F10 P2 F7 88.41(18) . .
F13 P2 F7 90.36(12) . .
F11 P2 F7 87.59(11) . .
F8 P2 F7 177.62(13) . .
C10 N1 C14 120.20(17) . .
C10 N1 Cu1 123.36(13) . .
C14 N1 Cu1 114.97(13) . .
C19 N2 C15 120.48(17) . .
C19 N2 Cu1 123.16(13) . .
C15 N2 Cu1 116.35(13) . .
C29 N3 C33 118.82(18) . .
C29 N3 Cu1 127.15(14) . .
C33 N3 Cu1 113.77(14) . .
C38 N4 C34 122.48(17) . .
C38 N4 Cu1 118.95(14) . .
C34 N4 Cu1 118.47(14) . .
C43 N5 C39 119.02(18) . .
C43 N5 Cu1 126.83(14) . .
C39 N5 Cu1 114.05(14) . .
C3 C2 C9 118.98(19) . .
C3 C2 C1 120.21(19) . .
C9 C2 C1 120.78(18) . .
C2 C3 C5 121.54(19) . .
C6 C5 C3 118.27(19) . .
C6 C5 C4 121.0(2) . .
C3 C5 C4 120.7(2) . .
C5 C6 C8 122.03(19) . .
C6 C8 C9 118.41(19) . .
C6 C8 C7 119.01(18) . .
C9 C8 C7 122.49(19) . .
C8 C9 C2 120.51(18) . .
C8 C9 C10 120.43(18) . .
C2 C9 C10 118.85(18) . .
N1 C10 C11 120.98(18) . .
N1 C10 C9 113.83(17) . .
C11 C10 C9 125.18(18) . .
C12 C11 C10 118.66(19) . .
C13 C12 C11 120.19(19) . .
C12 C13 C14 118.51(19) . .
N1 C14 C13 121.39(18) . .
N1 C14 C15 114.78(17) . .
C13 C14 C15 123.79(18) . .
N2 C15 C16 121.39(19) . .
N2 C15 C14 114.71(17) . .
C16 C15 C14 123.90(18) . .
C17 C16 C15 118.14(19) . .
C18 C17 C16 120.27(19) . .
C17 C18 C19 118.9(2) . .
N2 C19 C18 120.75(19) . .
N2 C19 C20 114.45(17) . .
C18 C19 C20 124.78(18) . .
C28 C20 C22 120.39(19) . .
C28 C20 C19 119.25(18) . .
C22 C20 C19 120.19(18) . .
C23 C22 C20 118.7(2) . .
C23 C22 C21 120.09(19) . .
C20 C22 C21 121.24(19) . .
C25 C23 C22 122.1(2) . .
C23 C25 C26 118.1(2) . .
C23 C25 C24 121.3(2) . .
C26 C25 C24 120.6(2) . .
C25 C26 C28 121.8(2) . .
C26 C28 C20 118.79(19) . .
C26 C28 C27 119.0(2) . .
C20 C28 C27 122.13(19) . .
N3 C29 C30 122.3(2) . .
C31 C30 C29 118.8(2) . .
C30 C31 C32 119.3(2) . .
C33 C32 C31 118.7(2) . .
N3 C33 C32 121.94(19) . .
N3 C33 C34 113.95(17) . .
C32 C33 C34 124.09(19) . .
N4 C34 C35 120.36(19) . .
N4 C34 C33 113.11(17) . .
C35 C34 C33 126.52(19) . .
C36 C35 C34 118.0(2) . .
C35 C36 C37 120.97(19) . .
C36 C37 C38 118.2(2) . .
N4 C38 C37 120.00(19) . .
N4 C38 C39 113.10(17) . .
C37 C38 C39 126.90(19) . .
N5 C39 C40 121.59(19) . .
N5 C39 C38 113.79(18) . .
C40 C39 C38 124.55(19) . .
C39 C40 C41 119.0(2) . .
C42 C41 C40 119.4(2) . .
C41 C42 C43 118.7(2) . .
N5 C43 C42 122.2(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N4 1.9339(17) .
Cu1 N3 2.0316(17) .
Cu1 N5 2.0429(17) .
Cu1 N2 2.0828(16) .
Cu1 N1 2.1065(16) .
P1 F3 1.5702(17) .
P1 F4 1.5783(18) .
P1 F2 1.5958(16) .
P1 F5 1.6000(17) .
P1 F6 1.6116(14) .
P1 F1 1.6135(14) .
P2 F12 1.561(2) .
P2 F10 1.573(2) .
P2 F13 1.574(2) .
P2 F11 1.575(2) .
P2 F8 1.5977(19) .
P2 F7 1.6021(19) .
N1 C10 1.350(3) .
N1 C14 1.351(3) .
N2 C19 1.347(3) .
N2 C15 1.350(3) .
N3 C29 1.336(3) .
N3 C33 1.359(3) .
N4 C38 1.335(3) .
N4 C34 1.340(3) .
N5 C43 1.342(3) .
N5 C39 1.357(3) .
C1 C2 1.513(3) .
C2 C3 1.391(3) .
C2 C9 1.407(3) .
C3 C5 1.398(3) .
C4 C5 1.505(3) .
C5 C6 1.390(3) .
C6 C8 1.398(3) .
C7 C8 1.507(3) .
C8 C9 1.403(3) .
C9 C10 1.498(3) .
C10 C11 1.394(3) .
C11 C12 1.387(3) .
C12 C13 1.387(3) .
C13 C14 1.389(3) .
C14 C15 1.488(3) .
C15 C16 1.391(3) .
C16 C17 1.387(3) .
C17 C18 1.387(3) .
C18 C19 1.389(3) .
C19 C20 1.501(3) .
C20 C28 1.400(3) .
C20 C22 1.407(3) .
C21 C22 1.506(3) .
C22 C23 1.395(3) .
C23 C25 1.387(3) .
C24 C25 1.510(3) .
C25 C26 1.395(3) .
C26 C28 1.399(3) .
C27 C28 1.509(3) .
C29 C30 1.392(3) .
C30 C31 1.386(3) .
C31 C32 1.389(3) .
C32 C33 1.388(3) .
C33 C34 1.474(3) .
C34 C35 1.390(3) .
C35 C36 1.385(3) .
C36 C37 1.390(3) .
C37 C38 1.392(3) .
C38 C39 1.479(3) .
C39 C40 1.387(3) .
C40 C41 1.388(3) .
C41 C42 1.384(3) .
C42 C43 1.390(3) .
