_symmetry_cell_setting            'Monoclinic' 
_symmetry_space_group_name_H-M    'P2(1)/n' 
 
_cell_length_a                    8.5017(6) 
_cell_length_b                    21.3304(16) 
_cell_length_c                    20.3462(13) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  99.815(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      3635.7(4) 
_cell_formula_units_Z             4 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker kappa APEXII CCD Area Detector'  

_refine_ls_number_reflns          6394 
_refine_ls_number_parameters      360 
_refine_ls_goodness_of_fit_ref    0.849 
_refine_ls_restrained_S_all       0.849 
 
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 
Ru1 Ru 0.43711(3) 0.736853(9) 0.471996(11) 0.01669(10) Uani 1 1 d . . . 
P4 P 0.42497(9) 0.57447(3) 0.70795(4) 0.02076(18) Uani 1 1 d . . . 
P1 P 0.43377(8) 0.65535(3) 0.39567(4) 0.01759(17) Uani 1 1 d . . . 
P2 P 0.60904(9) 0.67363(3) 0.54010(4) 0.01863(17) Uani 1 1 d . . . 
P3 P 0.54190(9) 0.81777(3) 0.54285(4) 0.01952(18) Uani 1 1 d . . . 
N1 N 0.2176(3) 0.72929(11) 0.49129(15) 0.0324(7) Uani 1 1 d . . . 
N2 N 0.0907(4) 0.72613(16) 0.4977(2) 0.0559(10) Uani 1 1 d . . . 
H2H H 0.601(4) 0.7474(15) 0.4452(19) 0.039(10) Uiso 1 1 d . . . 
H1H H 0.363(5) 0.7871(18) 0.4131(19) 0.055(11) Uiso 1 1 d . . . 
C1 C 0.5904(3) 0.59688(12) 0.43077(15) 0.0229(6) Uani 1 1 d . . . 
H1A H 0.5387 0.5606 0.4486 0.027 Uiso 1 1 calc R . . 
H1B H 0.6449 0.5815 0.3946 0.027 Uiso 1 1 calc R . . 
C3 C 0.7653(4) 0.72210(13) 0.59009(15) 0.0245(7) Uani 1 1 d . . . 
H3A H 0.8139 0.6988 0.6305 0.029 Uiso 1 1 calc R . . 
H3B H 0.8502 0.7314 0.5637 0.029 Uiso 1 1 calc R . . 
C4 C 0.6933(4) 0.78374(13) 0.61039(15) 0.0245(7) Uani 1 1 d . . . 
H4A H 0.7802 0.8146 0.6231 0.029 Uiso 1 1 calc R . . 
H4B H 0.6428 0.7760 0.6500 0.029 Uiso 1 1 calc R . . 
C2 C 0.7148(3) 0.62521(13) 0.48655(14) 0.0226(6) Uani 1 1 d . . . 
H2A H 0.7915 0.6513 0.4671 0.027 Uiso 1 1 calc R . . 
H2B H 0.7748 0.5914 0.5132 0.027 Uiso 1 1 calc R . . 
C8 C 0.4965(4) 0.67647(13) 0.31316(14) 0.0235(6) Uani 1 1 d . . . 
C6 C 0.1058(4) 0.64255(14) 0.34643(18) 0.0339(8) Uani 1 1 d . . . 
H6A H 0.0079 0.6177 0.3436 0.051 Uiso 1 1 calc R . . 
H6B H 0.1215 0.6544 0.3015 0.051 Uiso 1 1 calc R . . 
H6C H 0.0968 0.6804 0.3728 0.051 Uiso 1 1 calc R . . 
C7 C 0.2613(4) 0.54437(13) 0.33793(18) 0.0330(8) Uani 1 1 d . . . 
H7A H 0.1763 0.5150 0.3439 0.049 Uiso 1 1 calc R . . 
H7B H 0.3654 0.5244 0.3522 0.049 Uiso 1 1 calc R . . 
H7C H 0.2499 0.5561 0.2908 0.049 Uiso 1 1 calc R . . 
C12 C 0.4074(4) 0.85976(13) 0.59431(15) 0.0280(7) Uani 1 1 d . . . 
C10 C 0.3978(4) 0.73262(13) 0.28216(16) 0.0322(8) Uani 1 1 d . . . 
H10A H 0.4345 0.7452 0.2410 0.048 Uiso 1 1 calc R . . 
H10B H 0.4111 0.7677 0.3137 0.048 Uiso 1 1 calc R . . 
H10C H 0.2849 0.7208 0.2720 0.048 Uiso 1 1 calc R . . 
C5 C 0.2493(3) 0.60343(13) 0.38020(16) 0.0246(6) Uani 1 1 d . . . 
C9 C 0.4814(4) 0.62355(14) 0.26162(16) 0.0325(7) Uani 1 1 d . . . 
H9A H 0.3684 0.6162 0.2438 0.049 Uiso 1 1 calc R . . 
H9B H 0.5289 0.5852 0.2829 0.049 Uiso 1 1 calc R . . 
H9C H 0.5373 0.6354 0.2252 0.049 Uiso 1 1 calc R . . 
C11 C 0.6716(4) 0.69667(16) 0.32751(16) 0.0341(8) Uani 1 1 d . . . 
H11A H 0.7380 0.6611 0.3457 0.051 Uiso 1 1 calc R . . 
H11B H 0.6846 0.7310 0.3599 0.051 Uiso 1 1 calc R . . 
H11C H 0.7045 0.7108 0.2861 0.051 Uiso 1 1 calc R . . 
C13 C 0.2810(4) 0.89662(16) 0.54692(18) 0.0396(8) Uani 1 1 d . . . 
H13A H 0.1967 0.9104 0.5710 0.059 Uiso 1 1 calc R . . 
H13B H 0.2348 0.8697 0.5095 0.059 Uiso 1 1 calc R . . 
H13C H 0.3307 0.9333 0.5299 0.059 Uiso 1 1 calc R . . 
C14 C 0.5653(4) 0.61379(12) 0.59990(15) 0.0240(6) Uani 1 1 d . . . 
H14A H 0.5063 0.5789 0.5748 0.029 Uiso 1 1 calc R . . 
H14B H 0.6674 0.5967 0.6239 0.029 Uiso 1 1 calc R . . 
C16 C 0.2041(4) 0.58287(14) 0.70384(15) 0.0273(7) Uani 1 1 d . . . 
C17 C 0.1396(4) 0.64734(17) 0.7175(2) 0.0486(10) Uani 1 1 d . . . 
H17A H 0.0227 0.6462 0.7094 0.073 Uiso 1 1 calc R . . 
H17B H 0.1762 0.6782 0.6877 0.073 Uiso 1 1 calc R . . 
H17C H 0.1786 0.6591 0.7640 0.073 Uiso 1 1 calc R . . 
C20 C 0.4978(4) 0.66677(15) 0.81582(17) 0.0382(8) Uani 1 1 d . . . 
H20A H 0.3903 0.6657 0.8272 0.057 Uiso 1 1 calc R . . 
H20B H 0.5015 0.6981 0.7808 0.057 Uiso 1 1 calc R . . 
H20C H 0.5752 0.6779 0.8555 0.057 Uiso 1 1 calc R . . 
C15 C 0.4678(4) 0.63815(12) 0.65088(15) 0.0253(7) Uani 1 1 d . . . 
H15A H 0.3659 0.6558 0.6273 0.030 Uiso 1 1 calc R . . 
H15B H 0.5274 0.6722 0.6773 0.030 Uiso 1 1 calc R . . 
C18 C 0.5389(4) 0.60218(14) 0.79072(16) 0.0277(7) Uani 1 1 d . . . 
C19 C 0.7142(4) 0.60319(17) 0.78035(19) 0.0431(9) Uani 1 1 d . . . 
H19A H 0.7837 0.6124 0.8229 0.065 Uiso 1 1 calc R . . 
H19B H 0.7281 0.6356 0.7477 0.065 Uiso 1 1 calc R . . 
H19C H 0.7425 0.5622 0.7639 0.065 Uiso 1 1 calc R . . 
C23 C 0.5238(5) 0.55295(17) 0.84383(18) 0.0488(10) Uani 1 1 d . . . 
H23A H 0.5965 0.5634 0.8851 0.073 Uiso 1 1 calc R . . 
H23B H 0.5516 0.5116 0.8281 0.073 Uiso 1 1 calc R . . 
H23C H 0.4138 0.5522 0.8523 0.073 Uiso 1 1 calc R . . 
C21 C 0.1301(4) 0.56361(19) 0.63230(18) 0.0459(9) Uani 1 1 d . . . 
H21A H 0.1665 0.5214 0.6231 0.069 Uiso 1 1 calc R . . 
H21B H 0.1633 0.5933 0.6006 0.069 Uiso 1 1 calc R . . 
H21C H 0.0135 0.5638 0.6276 0.069 Uiso 1 1 calc R . . 
C22 C 0.1496(5) 0.53516(19) 0.7514(2) 0.0494(10) Uani 1 1 d . . . 
H22A H 0.1860 0.5485 0.7976 0.074 Uiso 1 1 calc R . . 
H22B H 0.1950 0.4940 0.7443 0.074 Uiso 1 1 calc R . . 
H22C H 0.0328 0.5324 0.7428 0.074 Uiso 1 1 calc R . . 
C24 C 0.3223(4) 0.80905(15) 0.62924(18) 0.0391(8) Uani 1 1 d . . . 
H24A H 0.2329 0.8280 0.6468 0.059 Uiso 1 1 calc R . . 
H24B H 0.3978 0.7908 0.6660 0.059 Uiso 1 1 calc R . . 
H24C H 0.2820 0.7762 0.5971 0.059 Uiso 1 1 calc R . . 
C25 C 0.4884(5) 0.90311(16) 0.65071(18) 0.0437(9) Uani 1 1 d . . . 
H25A H 0.5230 0.9418 0.6314 0.066 Uiso 1 1 calc R . . 
H25B H 0.5813 0.8818 0.6762 0.066 Uiso 1 1 calc R . . 
H25C H 0.4124 0.9133 0.6803 0.066 Uiso 1 1 calc R . . 
C26 C 0.2182(4) 0.58127(14) 0.44859(17) 0.0338(8) Uani 1 1 d . . . 
H26A H 0.2296 0.6167 0.4797 0.051 Uiso 1 1 calc R . . 
H26B H 0.2953 0.5486 0.4657 0.051 Uiso 1 1 calc R . . 
H26C H 0.1097 0.5643 0.4441 0.051 Uiso 1 1 calc R . . 
C27 C 0.6636(4) 0.87810(13) 0.50402(15) 0.0256(7) Uani 1 1 d . . . 
C29 C 0.5699(4) 0.90062(15) 0.43754(16) 0.0358(8) Uani 1 1 d . . . 
H29A H 0.4724 0.9219 0.4452 0.054 Uiso 1 1 calc R . . 
H29B H 0.5415 0.8646 0.4080 0.054 Uiso 1 1 calc R . . 
H29C H 0.6355 0.9299 0.4167 0.054 Uiso 1 1 calc R . . 
C30 C 0.8173(4) 0.84616(15) 0.49045(17) 0.0335(8) Uani 1 1 d . . . 
H30A H 0.8747 0.8747 0.4651 0.050 Uiso 1 1 calc R . . 
H30B H 0.7898 0.8077 0.4647 0.050 Uiso 1 1 calc R . . 
H30C H 0.8853 0.8358 0.5329 0.050 Uiso 1 1 calc R . . 
C28 C 0.7170(5) 0.93518(15) 0.54832(18) 0.0401(9) Uani 1 1 d . . . 
H28A H 0.7646 0.9209 0.5931 0.060 Uiso 1 1 calc R . . 
H28B H 0.6244 0.9618 0.5512 0.060 Uiso 1 1 calc R . . 
H28C H 0.7961 0.9592 0.5290 0.060 Uiso 1 1 calc R . . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Ru1 0.01666(15) 0.01302(14) 0.02023(16) -0.00001(8) 0.00264(10) 0.00196(8) 
P4 0.0229(4) 0.0150(3) 0.0255(4) 0.0023(3) 0.0075(3) 0.0006(3) 
P1 0.0177(4) 0.0129(3) 0.0222(4) 0.0000(3) 0.0036(3) 0.0011(3) 
P2 0.0201(4) 0.0159(3) 0.0200(4) 0.0024(3) 0.0039(3) 0.0029(3) 
P3 0.0235(4) 0.0146(3) 0.0198(4) -0.0004(3) 0.0021(3) 0.0011(3) 
N1 0.0264(16) 0.0279(13) 0.0439(18) -0.0091(12) 0.0092(13) 0.0000(11) 
N2 0.032(2) 0.062(2) 0.079(3) -0.0264(19) 0.0235(18) -0.0070(15) 
C1 0.0238(16) 0.0171(13) 0.0282(17) 0.0001(12) 0.0056(12) 0.0066(11) 
C3 0.0236(16) 0.0223(13) 0.0261(17) 0.0004(12) 0.0002(13) 0.0017(12) 
C4 0.0243(16) 0.0244(14) 0.0233(16) 0.0015(12) -0.0004(12) 0.0013(12) 
C2 0.0212(15) 0.0219(13) 0.0253(16) 0.0018(12) 0.0052(12) 0.0077(12) 
C8 0.0302(16) 0.0217(13) 0.0186(15) 0.0003(12) 0.0041(12) 0.0000(12) 
C6 0.0208(17) 0.0304(16) 0.049(2) -0.0079(15) 0.0021(14) -0.0018(13) 
C7 0.0320(18) 0.0205(14) 0.048(2) -0.0082(14) 0.0119(15) -0.0051(13) 
C12 0.0350(18) 0.0227(14) 0.0275(17) -0.0043(12) 0.0085(13) 0.0059(13) 
C10 0.044(2) 0.0279(16) 0.0235(18) 0.0040(13) 0.0021(15) 0.0043(14) 
C5 0.0219(16) 0.0200(13) 0.0335(18) -0.0050(12) 0.0095(13) -0.0029(12) 
C9 0.044(2) 0.0278(15) 0.0271(18) -0.0051(13) 0.0093(14) -0.0015(14) 
C11 0.0335(19) 0.0421(18) 0.0287(18) 0.0007(15) 0.0105(14) -0.0045(15) 
C13 0.038(2) 0.0389(18) 0.043(2) -0.0004(16) 0.0105(16) 0.0175(15) 
C14 0.0283(17) 0.0165(13) 0.0271(17) 0.0025(11) 0.0041(13) 0.0030(11) 
C16 0.0232(16) 0.0302(15) 0.0291(18) 0.0015(13) 0.0065(13) -0.0008(12) 
C17 0.0279(19) 0.046(2) 0.072(3) -0.008(2) 0.0097(18) 0.0116(16) 
C20 0.040(2) 0.0402(18) 0.0331(19) -0.0118(15) 0.0023(15) 0.0044(15) 
C15 0.0317(17) 0.0169(13) 0.0290(17) 0.0047(12) 0.0099(13) 0.0017(12) 
C18 0.0254(16) 0.0262(14) 0.0299(18) 0.0001(13) -0.0001(13) 0.0001(12) 
C19 0.0259(19) 0.0443(19) 0.058(2) -0.0101(18) 0.0027(16) 0.0001(15) 
C23 0.058(3) 0.047(2) 0.035(2) 0.0144(17) -0.0091(18) -0.0051(19) 
C21 0.035(2) 0.060(2) 0.038(2) -0.0002(18) -0.0059(16) -0.0025(18) 
C22 0.029(2) 0.069(3) 0.051(2) 0.025(2) 0.0111(17) -0.0094(17) 
C24 0.045(2) 0.0369(18) 0.039(2) -0.0071(16) 0.0186(16) 0.0025(16) 
C25 0.058(2) 0.0370(18) 0.037(2) -0.0138(16) 0.0106(18) 0.0029(17) 
C26 0.0355(19) 0.0264(15) 0.042(2) -0.0016(14) 0.0147(15) -0.0087(14) 
C27 0.0299(17) 0.0179(13) 0.0287(17) -0.0004(12) 0.0038(13) -0.0050(12) 
C29 0.046(2) 0.0307(16) 0.0294(19) 0.0124(14) 0.0033(15) -0.0050(15) 
C30 0.0305(18) 0.0320(16) 0.039(2) 0.0018(14) 0.0082(15) -0.0113(14) 
C28 0.052(2) 0.0231(15) 0.044(2) -0.0022(15) 0.0039(17) -0.0116(15)