#------------------------------------------------------------------------------ #$Date: 2016-02-16 20:30:59 +0000 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: svn://www.crystallography.net/cod/cif/4/07/57/4075770.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_4075770 loop_ _publ_author_name 'Tanaka, Shukichi' 'Dubs, Christian' 'Inagaki, Akiko' 'Akita, Munetaka' _publ_section_title ; Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand:  Dynamic and Diverse M···M Interactions in [(\m-X)Rh2(PNNP)(CO)2]n+and [(\m4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1:  PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato] ; _journal_issue 1 _journal_name_full Organometallics _journal_page_first 163 _journal_paper_doi 10.1021/om049427v _journal_volume 24 _journal_year 2005 _chemical_formula_moiety 'C37 H34 N2 O2 P2 Rh2 ' _chemical_formula_sum 'C37 H34 N2 O2 P2 Rh2' _chemical_formula_weight 806.45 _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 104.166(3) _cell_angle_beta 113.280(5) _cell_angle_gamma 70.131(2) _cell_formula_units_Z 2 _cell_length_a 12.826(1) _cell_length_b 13.777(2) _cell_length_c 12.640(1) _cell_measurement_reflns_used 5432 _cell_measurement_temperature 213.2 _cell_measurement_theta_max 55.0 _cell_measurement_theta_min 4.2 _cell_volume 1913.7(4) _computing_cell_refinement PROCESS-AUTO _computing_data_collection PROCESS-AUTO _computing_data_reduction 'teXsan Ver. 1.11' _computing_publication_material 'teXsan Ver. 1.11' _computing_structure_refinement SHELXL97 _computing_structure_solution SHELXS86 _diffrn_detector_area_resol_mean 10.00 _diffrn_measurement_device_type 'Rigaku RAXIS-IV Imaging Plate' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_reflns_av_R_equivalents 0.000 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 7924 _diffrn_reflns_theta_max 27.49 _exptl_absorpt_coefficient_mu 0.975 _exptl_absorpt_correction_T_max 0.907 _exptl_absorpt_correction_T_min 0.619 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(Higashi, 1995)' _exptl_crystal_density_diffrn 1.399 _exptl_crystal_density_method 'not measured' _exptl_crystal_size_max 0.100 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.100 _refine_diff_density_max 1.88 _refine_diff_density_min -0.81 _refine_ls_extinction_coef 0.0111 _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.185 _refine_ls_hydrogen_treatment noref _refine_ls_number_parameters 407 _refine_ls_number_reflns 4890 _refine_ls_R_factor_gt 0.0710 _refine_ls_shift/su_max -0.0010 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref 0.2193 _reflns_number_gt 4890 _reflns_number_total 7924 _reflns_threshold_expression >2.0sigma(I) _cod_data_source_file om049427vsi20040726_024341.cif _cod_data_source_block compound_2c _cod_original_cell_volume 1913.8(4) _cod_original_sg_symbol_H-M 'P -1 ' _cod_original_formula_sum 'C37 H34 N2 O2 P2 Rh2 ' _cod_database_code 4075770 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-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_calc_flag Rh(1) Rh 0.26217(6) 0.23835(6) 0.14521(7) 0.0274(2) Uani 1.00 d Rh(2) Rh 0.56769(6) 0.07651(6) 0.22971(6) 0.0249(2) Uani 1.00 d P(1) P 0.0887(2) 0.1953(2) 0.0777(2) 0.0308(6) Uani 1.00 d P(2) P 0.6372(2) -0.0972(2) 0.2302(2) 0.0254(5) Uani 1.00 d O(01) O 0.1828(9) 0.4527(7) 0.256(1) 0.080(3) Uani 1.00 d O(02) O 0.7646(7) 0.1200(7) 0.4410(7) 0.056(2) Uani 1.00 d N(1) N 0.3138(6) 0.0901(6) 0.0724(7) 0.026(2) Uani 1.00 d N(2) N 0.4275(6) 0.0285(6) 0.1041(7) 0.025(2) Uani 1.00 d C(1) C 0.4346(8) 0.2424(7) 0.1972(8) 0.029(2) Uani 1.00 d C(01) C 0.2155(10) 0.3693(10) 0.214(1) 0.046(3) Uani 1.00 d C(2) C 0.5306(8) 0.2497(8) 0.2143(9) 0.031(2) Uani 1.00 d C(02) C 0.6916(9) 0.1032(8) 0.3570(10) 0.038(2) Uani 1.00 d C(3) C 0.6255(9) 0.2946(8) 0.2313(10) 0.039(2) Uani 1.00 d C(4) C 0.581(1) 0.4007(9) 0.190(1) 0.051(3) Uani 1.00 d C(5) C 0.677(1) 0.447(1) 0.206(2) 0.079(5) Uani 1.00 d C(6) C 0.632(2) 0.556(1) 0.178(2) 0.099(6) Uani 1.00 d C(11) C 0.2423(8) 0.0274(8) 0.0088(8) 0.031(2) Uani 1.00 d C(12) C 0.3097(8) -0.0749(8) 0.0010(8) 0.030(2) Uani 1.00 d C(13) C 0.4256(8) -0.0715(7) 0.0623(8) 0.026(2) Uani 1.00 d C(14) C 0.1106(9) 0.0800(9) -0.0309(9) 0.036(2) Uani 1.00 d C(15) C 0.5404(9) -0.1504(8) 0.0921(8) 0.030(2) Uani 1.00 d C(21) C -0.0591(9) 0.2739(9) 0.0028(10) 0.041(3) Uani 1.00 d C(22) C -0.0813(9) 0.3826(9) 0.021(1) 0.044(3) Uani 1.00 d C(23) C -0.192(1) 0.443(1) -0.039(1) 0.069(4) Uani 1.00 d C(24) C -0.279(1) 0.394(2) -0.112(1) 0.082(6) Uani 1.00 d C(25) C -0.258(1) 0.286(1) -0.128(1) 0.076(5) Uani 1.00 d C(26) C -0.146(1) 0.227(1) -0.069(1) 0.057(3) Uani 1.00 d C(31) C 0.0675(8) 0.1430(9) 0.1861(9) 0.034(2) Uani 1.00 d C(32) C -0.028(1) 0.188(1) 0.221(1) 0.066(4) Uani 1.00 d C(33) C -0.039(1) 0.143(2) 0.304(1) 0.080(6) Uani 1.00 d C(34) C 0.046(1) 0.060(1) 0.355(1) 0.054(3) Uani 1.00 d C(35) C 0.139(1) 0.018(1) 0.319(1) 0.073(5) Uani 1.00 d C(36) C 0.150(1) 0.056(1) 0.233(1) 0.065(4) Uani 1.00 d C(41) C 0.7864(9) -0.1703(8) 0.2383(9) 0.031(2) Uani 1.00 d C(42) C 0.8098(9) -0.2619(8) 0.1646(10) 0.039(2) Uani 1.00 d C(43) C 0.923(1) -0.3187(9) 0.177(1) 0.048(3) Uani 1.00 d C(44) C 1.018(1) -0.2874(9) 0.261(1) 0.051(3) Uani 1.00 d C(45) C 0.996(1) -0.196(1) 0.333(1) 0.062(4) Uani 1.00 d C(46) C 0.8796(10) -0.1345(10) 0.320(1) 0.050(3) Uani 1.00 d C(51) C 0.6159(9) -0.1397(8) 0.3424(8) 0.034(2) Uani 1.00 d C(52) C 0.506(1) -0.104(2) 0.355(2) 0.13(1) Uani 1.00 d C(53) C 0.487(1) -0.131(2) 0.442(2) 0.15(1) Uani 1.00 d C(54) C 0.572(2) -0.191(1) 0.517(1) 0.074(5) Uani 1.00 d C(55) C 0.679(2) -0.218(2) 0.516(2) 0.123(9) Uani 1.00 d C(56) C 0.700(1) -0.194(2) 0.422(2) 0.101(7) Uani 1.00 d H(1) H 0.6725 0.3002 0.3128 0.0477 Uiso 1.00 calc H(2) H 0.6756 0.2484 0.1901 0.0477 Uiso 1.00 calc H(3) H 0.5316 0.3960 0.1116 0.0635 Uiso 1.00 calc H(4) H 0.5332 0.4479 0.2357 0.0635 Uiso 1.00 calc H(5) H 0.7312 0.4446 0.2832 0.0947 Uiso 1.00 calc H(6) H 0.7192 0.4042 0.1542 0.0947 Uiso 1.00 calc H(7) H 0.6949 0.5836 0.1863 0.1145 Uiso 1.00 calc H(8) H 0.5780 0.5606 0.0993 0.1145 Uiso 1.00 calc H(9) H 0.5908 0.6011 0.2284 0.1145 Uiso 1.00 calc H(10) H 0.2820 -0.1357 -0.0385 0.0364 Uiso 1.00 calc H(11) H 0.0682 0.0333 -0.0342 0.0439 Uiso 1.00 calc H(12) H 0.0842 0.0998 -0.1067 0.0439 Uiso 1.00 calc H(13) H 0.5738 -0.1648 0.0325 0.0358 Uiso 1.00 calc H(14) H 0.5318 -0.2143 0.1008 0.0358 Uiso 1.00 calc H(15) H -0.0197 0.4148 0.0743 0.0541 Uiso 1.00 calc H(16) H -0.2094 0.5181 -0.0309 0.0827 Uiso 1.00 calc H(17) H -0.3557 0.4369 -0.1507 0.0925 Uiso 1.00 calc H(18) H -0.3223 0.2567 -0.1775 0.0904 Uiso 1.00 calc H(19) H -0.1270 0.1508 -0.0795 0.0681 Uiso 1.00 calc H(20) H -0.0869 0.2499 0.1897 0.0786 Uiso 1.00 calc H(21) H -0.1096 0.1717 0.3238 0.0943 Uiso 1.00 calc H(22) H 0.0410 0.0328 0.4165 0.0636 Uiso 1.00 calc H(23) H 0.1982 -0.0419 0.3501 0.0833 Uiso 1.00 calc H(24) H 0.2154 0.0209 0.2059 0.0761 Uiso 1.00 calc H(25) H 0.7442 -0.2842 0.1039 0.0475 Uiso 1.00 calc H(26) H 0.9376 -0.3824 0.1247 0.0580 Uiso 1.00 calc H(27) H 1.0976 -0.3286 0.2698 0.0591 Uiso 1.00 calc H(28) H 1.0601 -0.1731 0.3934 0.0732 Uiso 1.00 calc H(29) H 0.8651 -0.0688 0.3682 0.0600 Uiso 1.00 calc H(30) H 0.4426 -0.0579 0.3030 0.1545 Uiso 1.00 calc H(31) H 0.4124 -0.0996 0.4526 0.1797 Uiso 1.00 calc H(32) H 0.5545 -0.2186 0.5697 0.0813 Uiso 1.00 calc H(33) H 0.7443 -0.2572 0.5758 0.1347 Uiso 1.00 calc H(34) H 0.7791 -0.2153 0.4199 0.1110 Uiso 1.00 calc loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Rh(1) 0.0241(4) 0.0263(4) 0.0312(4) -0.0065(3) 0.0064(3) 0.0083(3) Rh(2) 0.0234(4) 0.0258(4) 0.0247(4) -0.0085(3) 0.0043(3) 0.0061(3) P(1) 0.023(1) 0.034(1) 0.034(1) -0.007(1) 0.006(1) 0.010(1) P(2) 0.025(1) 0.026(1) 0.024(1) -0.0046(9) 0.0066(10) 0.0065(9) O(01) 0.079(7) 0.040(5) 0.110(9) -0.003(5) 0.047(7) -0.015(6) O(02) 0.050(5) 0.057(5) 0.041(5) -0.028(4) -0.018(4) 0.012(4) N(1) 0.015(3) 0.023(4) 0.032(4) -0.003(3) 0.002(3) 0.005(3) N(2) 0.021(3) 0.023(4) 0.032(4) -0.007(3) 0.004(3) 0.010(3) C(1) 0.033(5) 0.023(5) 0.032(5) -0.008(4) 0.012(4) 0.004(4) C(01) 0.034(6) 0.048(7) 0.049(7) -0.011(5) 0.006(5) 0.005(6) C(2) 0.029(5) 0.028(5) 0.038(5) -0.011(4) 0.009(4) 0.009(4) C(02) 0.038(6) 0.030(5) 0.045(6) -0.010(4) 0.012(5) 0.009(5) C(3) 0.040(6) 0.033(5) 0.048(6) -0.009(5) 0.014(5) 0.016(5) C(4) 0.043(6) 0.039(6) 0.069(8) -0.006(5) 0.008(6) 0.028(6) C(5) 0.055(8) 0.056(9) 0.14(2) -0.020(7) 0.025(10) 0.034(10) C(6) 0.09(1) 0.08(1) 0.14(2) -0.04(1) 0.03(1) 0.05(1) C(11) 0.025(4) 0.035(5) 0.029(5) -0.014(4) 0.002(4) -0.002(4) C(12) 0.029(5) 0.033(5) 0.029(5) -0.016(4) 0.008(4) -0.001(4) C(13) 0.023(4) 0.032(5) 0.023(4) -0.012(4) 0.005(4) 0.003(4) C(14) 0.024(5) 0.046(6) 0.033(5) -0.010(4) 0.001(4) 0.009(5) C(15) 0.035(5) 0.026(5) 0.028(5) -0.007(4) 0.013(4) 0.002(4) C(21) 0.026(5) 0.053(7) 0.043(6) -0.003(5) 0.009(5) 0.021(5) C(22) 0.032(5) 0.039(6) 0.048(7) 0.002(5) 0.002(5) 0.015(5) C(23) 0.053(8) 0.054(8) 0.077(10) 0.015(7) 0.011(8) 0.031(8) C(24) 0.032(7) 0.10(1) 0.07(1) 0.011(8) -0.007(7) 0.025(10) C(25) 0.023(6) 0.10(1) 0.08(1) -0.005(7) -0.010(6) 0.024(9) C(26) 0.038(6) 0.052(8) 0.072(9) -0.005(6) 0.009(6) 0.017(7) C(31) 0.027(5) 0.042(6) 0.034(5) -0.010(4) 0.007(4) 0.011(5) C(32) 0.037(6) 0.09(1) 0.074(9) 0.009(7) 0.024(7) 0.050(9) C(33) 0.051(8) 0.13(2) 0.073(10) -0.003(9) 0.031(8) 0.05(1) C(34) 0.067(8) 0.065(9) 0.042(7) -0.031(7) 0.019(6) 0.009(6) C(35) 0.069(9) 0.08(1) 0.073(10) -0.001(8) 0.024(8) 0.049(9) C(36) 0.051(7) 0.073(10) 0.078(9) 0.015(7) 0.039(8) 0.036(8) C(41) 0.032(5) 0.027(5) 0.035(5) -0.005(4) 0.009(4) 0.013(4) C(42) 0.035(5) 0.035(6) 0.047(6) -0.011(5) 0.013(5) 0.003(5) C(43) 0.043(6) 0.038(6) 0.063(8) -0.008(5) 0.023(6) 0.004(6) C(44) 0.038(6) 0.032(6) 0.083(9) -0.002(5) 0.026(7) 0.006(6) C(45) 0.028(6) 0.050(8) 0.080(10) -0.009(5) -0.009(6) 0.009(7) C(46) 0.031(5) 0.043(7) 0.059(7) -0.006(5) 0.010(6) -0.010(6) C(51) 0.046(6) 0.028(5) 0.026(5) -0.007(4) 0.011(5) 0.006(4) C(52) 0.054(9) 0.24(3) 0.12(2) 0.02(1) 0.04(1) 0.14(2) C(53) 0.049(9) 0.31(4) 0.12(2) 0.01(1) 0.04(1) 0.15(2) C(54) 0.09(1) 0.09(1) 0.061(9) -0.016(10) 0.054(9) 0.021(8) C(55) 0.12(2) 0.15(2) 0.12(2) 0.03(1) 0.06(1) 0.10(2) C(56) 0.063(10) 0.16(2) 0.10(1) 0.01(1) 0.036(10) 0.09(1) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Rh Rh -1.118 0.919 ;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) ; O O 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; N N 0.006 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 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) ; loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag P(1) Rh(1) N(1) 80.2(2) yes P(1) Rh(1) C(1) 167.2(3) yes P(1) Rh(1) C(01) 99.2(4) yes N(1) Rh(1) C(1) 87.3(3) yes N(1) Rh(1) C(01) 178.1(6) yes C(1) Rh(1) C(01) 93.3(5) yes P(2) Rh(2) N(2) 79.2(2) yes P(2) Rh(2) C(1) 160.5(3) yes P(2) Rh(2) C(2) 167.0(3) yes P(2) Rh(2) C(02) 93.7(3) yes N(2) Rh(2) C(1) 82.2(3) yes N(2) Rh(2) C(2) 105.9(3) yes N(2) Rh(2) C(02) 169.5(5) yes C(1) Rh(2) C(2) 29.7(4) yes C(1) Rh(2) C(02) 103.9(4) yes C(2) Rh(2) C(02) 82.6(4) yes Rh(1) P(1) C(14) 103.6(4) yes Rh(1) P(1) C(21) 128.0(5) yes Rh(1) P(1) C(31) 112.8(3) yes C(14) P(1) C(21) 102.9(4) yes C(14) P(1) C(31) 102.7(6) yes C(21) P(1) C(31) 103.8(6) yes Rh(2) P(2) C(15) 104.2(3) yes Rh(2) P(2) C(41) 124.0(4) yes Rh(2) P(2) C(51) 112.3(3) yes C(15) P(2) C(41) 105.8(4) yes C(15) P(2) C(51) 105.3(6) yes C(41) P(2) C(51) 103.7(5) yes Rh(1) N(1) N(2) 124.4(5) yes Rh(1) N(1) C(11) 126.0(6) yes N(2) N(1) C(11) 107.6(7) yes Rh(2) N(2) N(1) 123.9(5) yes Rh(2) N(2) C(13) 125.8(5) yes N(1) N(2) C(13) 108.3(7) yes Rh(1) C(1) Rh(2) 111.6(5) yes Rh(1) C(1) C(2) 171.5(10) yes Rh(2) C(1) C(2) 73.0(6) yes Rh(1) C(01) O(01) 178(1) yes Rh(2) C(2) C(1) 77.3(7) yes Rh(2) C(2) C(3) 121.7(6) yes C(1) C(2) C(3) 161.0(10) yes Rh(2) C(02) O(02) 175(1) yes C(2) C(3) C(4) 113.4(9) yes C(3) C(4) C(5) 114(1) yes C(4) C(5) C(6) 113(1) yes N(1) C(11) C(12) 109.6(8) yes N(1) C(11) C(14) 116.3(8) yes C(12) C(11) C(14) 134(1) yes C(11) C(12) C(13) 105.2(9) yes N(2) C(13) C(12) 109.3(7) yes N(2) C(13) C(15) 116.3(8) yes C(12) C(13) C(15) 134.4(9) yes P(1) C(14) C(11) 105.9(6) yes P(2) C(15) C(13) 106.9(6) yes P(1) C(21) C(22) 118.5(8) yes P(1) C(21) C(26) 120.2(9) yes C(22) C(21) C(26) 121.3(9) yes C(21) C(22) C(23) 119(1) yes C(22) C(23) C(24) 118(1) yes C(23) C(24) C(25) 122(1) yes C(24) C(25) C(26) 118(1) yes C(21) C(26) C(25) 120(1) yes P(1) C(31) C(32) 121.7(10) yes P(1) C(31) C(36) 119(1) yes C(32) C(31) C(36) 118(1) yes C(31) C(32) C(33) 118(1) yes C(32) C(33) C(34) 122(1) yes C(33) C(34) C(35) 117(1) yes C(34) C(35) C(36) 122(1) yes C(31) C(36) C(35) 120(1) yes P(2) C(41) C(42) 121.7(8) yes P(2) C(41) C(46) 119.2(8) yes C(42) C(41) C(46) 119.1(10) yes C(41) C(42) C(43) 120.6(10) yes C(42) C(43) C(44) 121(1) yes C(43) C(44) C(45) 118(1) yes C(44) C(45) C(46) 121(1) yes C(41) C(46) C(45) 119(1) yes P(2) C(51) C(52) 118(1) yes P(2) C(51) C(56) 124(1) yes C(52) C(51) C(56) 115(1) yes C(51) C(52) C(53) 120(1) yes C(52) C(53) C(54) 121(1) yes C(53) C(54) C(55) 119(2) yes C(54) C(55) C(56) 119(1) yes C(51) C(56) C(55) 122(1) yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Rh(1) P(1) 2.276(3) yes Rh(1) N(1) 2.024(7) yes Rh(1) C(1) 2.06(1) yes Rh(1) C(01) 1.81(1) yes Rh(2) P(2) 2.253(3) yes Rh(2) N(2) 2.057(7) yes Rh(2) C(1) 2.358(9) yes Rh(2) C(2) 2.31(1) yes Rh(2) C(02) 1.826(10) yes P(1) C(14) 1.85(1) yes P(1) C(21) 1.830(9) yes P(1) C(31) 1.84(1) yes P(2) C(15) 1.846(9) yes P(2) C(41) 1.81(1) yes P(2) C(51) 1.80(1) yes O(01) C(01) 1.15(1) yes O(02) C(02) 1.14(1) yes N(1) N(2) 1.367(9) yes N(1) C(11) 1.36(1) yes N(2) C(13) 1.35(1) yes C(1) C(2) 1.20(2) yes C(2) C(3) 1.47(2) yes C(3) C(4) 1.52(2) yes C(4) C(5) 1.50(3) yes C(5) C(6) 1.49(3) yes C(11) C(12) 1.38(1) yes C(11) C(14) 1.52(1) yes C(12) C(13) 1.39(1) yes C(13) C(15) 1.47(1) yes C(21) C(22) 1.40(2) yes C(21) C(26) 1.37(2) yes C(22) C(23) 1.40(2) yes C(23) C(24) 1.39(2) yes C(24) C(25) 1.39(3) yes C(25) C(26) 1.40(2) yes C(31) C(32) 1.37(2) yes C(31) C(36) 1.37(2) yes C(32) C(33) 1.40(3) yes C(33) C(34) 1.38(2) yes C(34) C(35) 1.33(2) yes C(35) C(36) 1.38(3) yes C(41) C(42) 1.39(1) yes C(41) C(46) 1.38(1) yes C(42) C(43) 1.36(2) yes C(43) C(44) 1.38(2) yes C(44) C(45) 1.38(2) yes C(45) C(46) 1.41(2) yes C(51) C(52) 1.39(2) yes C(51) C(56) 1.30(2) yes C(52) C(53) 1.37(4) yes C(53) C(54) 1.32(3) yes C(54) C(55) 1.29(3) yes C(55) C(56) 1.45(4) yes