Structures published

C₂₉H₃₄F₃IrN₂O₄

Zhou, Meng Johnson, Samantha I.Gao, Yang Emge, Thomas J.Nielsen, Robert J.Goddard, William A.Goldman, Alan S.

Organometallics (2015) 34, 12 2879

a=20.8528(8)Å b=11.8997(5)Å c=22.6610(9)Å

α=90° β=90° γ=90°

C₂₉H₃₇IrN₂O₄

Zhou, Meng Johnson, Samantha I.Gao, Yang Emge, Thomas J.Nielsen, Robert J.Goddard, William A.Goldman, Alan S.

Organometallics (2015) 34, 12 2879

a=20.532(3)Å b=11.9277(18)Å c=22.489(3)Å

α=90° β=90° γ=90°

C₂₂H₂₅F₆IrN₂O₇

Zhou, Meng Johnson, Samantha I.Gao, Yang Emge, Thomas J.Nielsen, Robert J.Goddard, William A.Goldman, Alan S.

Organometallics (2015) 34, 12 2879

a=9.1482(13)Å b=10.3381(15)Å c=14.352(2)Å

α=97.296(3)° β=107.210(3)° γ=99.526(3)°

Compound 2a

C₁₆H₂₄NO₇ReS₄

Choudhry, Uzma Greenland, William E. P.Goddard, William A.Maclennan, Tom A. J.Teat, Simon J.Blower, Philip J.

Dalton Transactions (2003) 3 311

a=12.4936(4)Å b=19.2134(6)Å c=9.2046(3)Å

α=90.00° β=90.00° γ=90.00°

C₆₂H₆₈Cl₄Ir₂N₄O₄

Meier, Steven K.Young, Kenneth J. H.Ess, Daniel H.Tenn, William J.Oxgaard, Jonas Goddard, William A.Periana, Roy A.

Organometallics (2009) 28, 18 5293

a=10.009(2)Å b=12.096(3)Å c=12.500(3)Å

α=88.518(3)° β=88.768(4)° γ=81.758(4)°

C₁₇H₁₉F₃O₇OsS

Young, Kenneth J. H.Mironov, Oleg A.Nielsen, Robert J.Cheng, Mu-Jeng Stewart, Timothy Goddard, William A.Periana, Roy A.

Organometallics (2011) 30, 19 5088

a=8.5774(6)Å b=9.3032(5)Å c=13.0773(7)Å

α=86.170(2)° β=88.963(3)° γ=85.364(3)°

C₂₆H₃₆Cl₆Ir₂O₁₃

Bischof, Steven M.Ess, Daniel H.Meier, Steven K.Oxgaard, Jonas Nielsen, Robert J.Bhalla, Gaurav Goddard, William A.Periana, Roy A.

Organometallics (2010) 29, 4 742

a=7.9845(12)Å b=23.481(4)Å c=10.7492(16)Å

α=90.00° β=106.231(3)° γ=90.00°

C₁₅H₁₅N₃O₂

Shainaz M. Landge Ekatarina Tkatchouk Diego Benítez Don Antoine Lanfranchi Mourad Elhabiri William A. Goddard Ivan Aprahamian

Journal of the American Chemical Society (2011) 133, 9812-9823

a=5.2162(2)Å b=15.3273(4)Å c=16.7226(5)Å

α=87.309(2)° β=89.473(2)° γ=85.920(2)°

C₁₉H₁₈N₃O_2,C₂O₂F₃

Shainaz M. Landge Ekatarina Tkatchouk Diego Benítez Don Antoine Lanfranchi Mourad Elhabiri William A. Goddard Ivan Aprahamian

Journal of the American Chemical Society (2011) 133, 9812-9823

a=7.6924(6)Å b=8.5035(6)Å c=16.6802(12)Å

α=86.1330(10)° β=83.3570(10)° γ=66.9750(10)°

C₁₅H₁₆N₃O_2,C₄HF₆O₄

Shainaz M. Landge Ekatarina Tkatchouk Diego Benítez Don Antoine Lanfranchi Mourad Elhabiri William A. Goddard Ivan Aprahamian

Journal of the American Chemical Society (2011) 133, 9812-9823

a=7.0657(15)Å b=10.783(2)Å c=14.797(3)Å

α=98.277(2)° β=98.104(2)° γ=98.997(2)°

IPrAuCH2CH2tBu

C₃₃H₄₉AuN₂

Ekaterina Tkatchouk Neal P. Mankad Diego Benitez William A. Goddard F. Dean Toste

Journal of the American Chemical Society (2011) 133, 14293-14300

a=9.8072(4)Å b=10.5644(4)Å c=15.4385(7)Å

α=92.008(2)° β=94.622(2)° γ=95.187(2)°

(DIMes^Me)(AuMe)2

C₂₇H₃₄Au₂N₄

Ekaterina Tkatchouk Neal P. Mankad Diego Benitez William A. Goddard F. Dean Toste

Journal of the American Chemical Society (2011) 133, 14293-14300

a=39.063(17)Å b=9.791(4)Å c=16.102(7)Å

α=90.00° β=111.636(5)° γ=90.00°

(DIMes^Me)(AuCl)2

C₂₅H₂₈Au₂Cl₂N₄

Ekaterina Tkatchouk Neal P. Mankad Diego Benitez William A. Goddard F. Dean Toste

Journal of the American Chemical Society (2011) 133, 14293-14300

a=12.3331(7)Å b=12.3331(7)Å c=43.691(3)Å

α=90.00° β=90.00° γ=90.00°

DCP2

C₃₂H₂₅ClN₂O₆Pd₃

David C. Powers Diego Benitez Ekaterina Tkatchouk William A. Goddard Tobias Ritter

Journal of the American Chemical Society (2010) 132, 14092-14103

a=10.0632(2)Å b=11.2475(2)Å c=13.9230(2)Å

α=96.989(1)° β=95.423(1)° γ=108.992(1)°

Tr040

((Pd₃)(C₂H₃O₂₁)(C₁₃H₈N₁)(Cl₁))_2,C₆H₅I_,CH₂Cl₂

David C. Powers Diego Benitez Ekaterina Tkatchouk William A. Goddard Tobias Ritter

Journal of the American Chemical Society (2010) 132, 14092-14103

a=16.7605(5)Å b=17.7508(5)Å c=14.1762(4)Å

α=90.00° β=117.053(2)° γ=90.00°

DCP1

C₃₀H₂₂N₂O₄Pd₂

David C. Powers Diego Benitez Ekaterina Tkatchouk William A. Goddard Tobias Ritter

Journal of the American Chemical Society (2010) 132, 14092-14103

a=16.039(2)Å b=16.038(2)Å c=9.9156(13)Å

α=90.00° β=90.00° γ=90.00°

DCP-IV-15

((Pd₃)(C₂H₃O₂₁)₂(C₁₃H₈N₁))_2,2(CH₂Cl₂)

David C. Powers Diego Benitez Ekaterina Tkatchouk William A. Goddard Tobias Ritter

Journal of the American Chemical Society (2010) 132, 14092-14103

a=16.3668(4)Å b=17.4864(4)Å c=26.0050(6)Å

α=90.00° β=90.00° γ=90.00°

TF04054

C₃₀H₂₀F₂N₄O₄PdS_,C₂H₃N

Takeru Furuya Diego Benitez Ekaterina Tkatchouk Alexandra E. Strom Pingping Tang William A. Goddard Tobias Ritter

Journal of the American Chemical Society (2010) 132, 3793-3807

a=10.0089(3)Å b=13.3937(4)Å c=21.0503(7)Å

α=90.00° β=99.197(3)° γ=90.00°

TPP-I-114

C₂₂H₁₇FN₄O₄PdS_,CH₂Cl₂

Takeru Furuya Diego Benitez Ekaterina Tkatchouk Alexandra E. Strom Pingping Tang William A. Goddard Tobias Ritter

Journal of the American Chemical Society (2010) 132, 3793-3807

a=15.2325(5)Å b=11.9436(4)Å c=13.9760(5)Å

α=90.00° β=101.9750(10)° γ=90.00°

C₂₇H₃₀Cl₂N₂ORu

Ian C. Stewart Diego Benitez Daniel J. O'Leary Ekaterina Tkatchouk Michael W. Day William A. Goddard Robert H. Grubbs

Journal of the American Chemical Society (2009) 131, 1931-1938

a=11.5794(3)Å b=13.9350(4)Å c=16.6418(5)Å

α=90.00° β=105.5780(10)° γ=90.00°

C₂₆H₂₆Cl₂N₂Ru_,CH₂Cl₂

Ian C. Stewart Diego Benitez Daniel J. O'Leary Ekaterina Tkatchouk Michael W. Day William A. Goddard Robert H. Grubbs

Journal of the American Chemical Society (2009) 131, 1931-1938

a=17.1288(9)Å b=15.8049(8)Å c=19.8610(12)Å

α=90.00° β=90.00° γ=90.00°

2(C₃₄H₄₄O₁₀S₄)_,C₄₈H₄₀N_4,2(F₆P)_,4(C₂H₃N)_,3(ClO₄)

Ali Coskun Jason M. Spruell Gokhan Barin Albert C. Fahrenbach Ross S. Forgan Michael T. Colvin Raanan Carmieli Diego Benítez Ekaterina Tkatchouk Douglas C. Friedman Amy A. Sarjeant Michael R. Wasielewski William A. Goddard J. Fraser Stoddart

Journal of the American Chemical Society (2011) 133, 4538-4547

a=18.8354(4)Å b=26.6616(5)Å c=30.5877(6)Å

α=90.00° β=92.9290(10)° γ=90.00°

C₄₃H₅₅FeN₄Si₂Y_,C_4,C

Bryan N. Williams Diego Benitez Kevin L. Miller Ekaterina Tkatchouk William A. Goddard Paula L. Diaconescu

Journal of the American Chemical Society (2011) 133, 4680-4683

a=18.311(2)Å b=12.1533(14)Å c=20.892(3)Å

α=90.00° β=103.4390(10)° γ=90.00°

C₆₂H₁₀₄Fe₂Lu₂N₈OSi_4,C₅H_6,2(H)

Bryan N. Williams Diego Benitez Kevin L. Miller Ekaterina Tkatchouk William A. Goddard Paula L. Diaconescu

Journal of the American Chemical Society (2011) 133, 4680-4683

a=18.664(4)Å b=21.774(4)Å c=18.892(4)Å

α=90.00° β=107.578(3)° γ=90.00°

2(C₅₃H₇₄FeN₃O₂Si₂Y)_,C₄H_9,C₅H_12,CH₃

Bryan N. Williams Diego Benitez Kevin L. Miller Ekaterina Tkatchouk William A. Goddard Paula L. Diaconescu

Journal of the American Chemical Society (2011) 133, 4680-4683

a=25.084(2)Å b=17.1073(15)Å c=28.101(3)Å

α=90.00° β=110.8000(10)° γ=90.00°

C_79.5H₉₃F₂₄N_12.5O₈P₄S₄

Jason M. Spruell Walter F. Paxton John-Carl Olsen Diego Benítez Ekaterina Tkatchouk Charlotte L. Stern Ali Trabolsi Douglas C. Friedman William A. Goddard J. Fraser Stoddart

Journal of the American Chemical Society (2009) 131, 11571-11580

a=14.0138(4)Å b=14.0734(2)Å c=25.1493(5)Å

α=98.2070(10)° β=105.1000(10)° γ=91.9490(10)°

Hg-pyrenyl-phosphoramid-AuCl

C₆₉H₅₆AuCl₃NO₂P

Ana Z. González Diego Benitez Ekaterina Tkatchouk William A. Goddard F. Dean Toste

Journal of the American Chemical Society (2011) 133, 5500-5507

a=13.2972(7)Å b=13.2921(7)Å c=17.5488(9)Å

α=90.00° β=102.863(3)° γ=90.00°

AG04-169

C₆₈H₅₄AuClNO₂P

Ana Z. González Diego Benitez Ekaterina Tkatchouk William A. Goddard F. Dean Toste

Journal of the American Chemical Society (2011) 133, 5500-5507

a=8.5886(3)Å b=18.2238(6)Å c=16.1210(5)Å

α=90.00° β=95.129(2)° γ=90.00°

AG04-186H

C₂₂H₂₅NO₄S

Ana Z. González Diego Benitez Ekaterina Tkatchouk William A. Goddard F. Dean Toste

Journal of the American Chemical Society (2011) 133, 5500-5507

a=10.4997(8)Å b=8.3483(6)Å c=11.8012(7)Å

α=90.00° β=91.036(5)° γ=90.00°

AG05-28

C₈₄H₅₇AuClF₁₂NO₂P

Ana Z. González Diego Benitez Ekaterina Tkatchouk William A. Goddard F. Dean Toste

Journal of the American Chemical Society (2011) 133, 5500-5507

a=8.3457(5)Å b=20.6561(12)Å c=44.304(2)Å

α=90.00° β=90.00° γ=90.00°

C₂₀H₂₃N₃O₇

Risong Na Chengfeng Jing Qihai Xu Hui Jiang Xi Wu Jiayan Shi Jiangchun Zhong Min Wang Diego Benitez Ekaterina Tkatchouk William A. Goddard Hongchao Guo Ohyun Kwon

Journal of the American Chemical Society (2011) 133, 13337-13348

a=10.0906(17)Å b=10.702(2)Å c=19.365(3)Å

α=94.622(6)° β=104.715(6)° γ=95.703(7)°

C₂₀H₂₅N₃O₅

Risong Na Chengfeng Jing Qihai Xu Hui Jiang Xi Wu Jiayan Shi Jiangchun Zhong Min Wang Diego Benitez Ekaterina Tkatchouk William A. Goddard Hongchao Guo Ohyun Kwon

Journal of the American Chemical Society (2011) 133, 13337-13348

a=8.961(3)Å b=9.259(3)Å c=12.207(4)Å

α=77.131(4)° β=81.294(4)° γ=73.893(4)°

C₁₆H₁₇N₃O₅

Risong Na Chengfeng Jing Qihai Xu Hui Jiang Xi Wu Jiayan Shi Jiangchun Zhong Min Wang Diego Benitez Ekaterina Tkatchouk William A. Goddard Hongchao Guo Ohyun Kwon

Journal of the American Chemical Society (2011) 133, 13337-13348

a=7.5943(7)Å b=14.3844(14)Å c=14.7836(14)Å

α=77.337(1)° β=84.962(1)° γ=81.670(2)°

C₂₀H₂₃N₃O₇

Risong Na Chengfeng Jing Qihai Xu Hui Jiang Xi Wu Jiayan Shi Jiangchun Zhong Min Wang Diego Benitez Ekaterina Tkatchouk William A. Goddard Hongchao Guo Ohyun Kwon

Journal of the American Chemical Society (2011) 133, 13337-13348

a=11.759(2)Å b=23.045(4)Å c=7.7057(14)Å

α=90.00° β=107.406(2)° γ=90.00°

C₂₃H₂₅N₃O_5,CH₄O

Risong Na Chengfeng Jing Qihai Xu Hui Jiang Xi Wu Jiayan Shi Jiangchun Zhong Min Wang Diego Benitez Ekaterina Tkatchouk William A. Goddard Hongchao Guo Ohyun Kwon

Journal of the American Chemical Society (2011) 133, 13337-13348

a=23.002(2)Å b=7.7747(8)Å c=25.097(3)Å

α=90.00° β=90.00° γ=90.00°

C₂₂H₂₅BrN₂O₅

Risong Na Chengfeng Jing Qihai Xu Hui Jiang Xi Wu Jiayan Shi Jiangchun Zhong Min Wang Diego Benitez Ekaterina Tkatchouk William A. Goddard Hongchao Guo Ohyun Kwon

Journal of the American Chemical Society (2011) 133, 13337-13348

a=22.975(4)Å b=12.4694(16)Å c=7.5472(11)Å

α=90.00° β=90.00° γ=90.00°

C₂₂H₂₅N₃O₇

Risong Na Chengfeng Jing Qihai Xu Hui Jiang Xi Wu Jiayan Shi Jiangchun Zhong Min Wang Diego Benitez Ekaterina Tkatchouk William A. Goddard Hongchao Guo Ohyun Kwon

Journal of the American Chemical Society (2011) 133, 13337-13348

a=6.9086(18)Å b=12.855(3)Å c=24.098(7)Å

α=90.00° β=92.903(3)° γ=90.00°

C₁₆H₁₇N₃O₅

Risong Na Chengfeng Jing Qihai Xu Hui Jiang Xi Wu Jiayan Shi Jiangchun Zhong Min Wang Diego Benitez Ekaterina Tkatchouk William A. Goddard Hongchao Guo Ohyun Kwon

Journal of the American Chemical Society (2011) 133, 13337-13348

a=8.3908(14)Å b=9.8594(15)Å c=10.8783(17)Å

α=65.913(8)° β=75.686(11)° γ=75.628(11)°

C₃₅H₅₇FeLuN₂OSi₂

Colin T. Carver Diego Benitez Kevin L. Miller Bryan N. Williams Ekaterina Tkatchouk William A. Goddard Paula L. Diaconescu

Journal of the American Chemical Society (2009) 131, 10269-10278

a=11.249(2)Å b=17.344(3)Å c=18.910(4)Å

α=90.00° β=97.509(2)° γ=90.00°

C₄₃H₅₅FeN₄ScSi_2,C₇H₈

Colin T. Carver Diego Benitez Kevin L. Miller Bryan N. Williams Ekaterina Tkatchouk William A. Goddard Paula L. Diaconescu

Journal of the American Chemical Society (2009) 131, 10269-10278

a=16.1271(19)Å b=10.5039(13)Å c=27.189(3)Å

α=90.00° β=95.6800(10)° γ=90.00°

C₄₃H₅₅FeN₄ScSi₂

Colin T. Carver Diego Benitez Kevin L. Miller Bryan N. Williams Ekaterina Tkatchouk William A. Goddard Paula L. Diaconescu

Journal of the American Chemical Society (2009) 131, 10269-10278

a=16.782(3)Å b=13.647(2)Å c=18.368(3)Å

α=90.00° β=109.108(2)° γ=90.00°

C₄₂H₅₅FeN₄ScSi₂

Colin T. Carver Diego Benitez Kevin L. Miller Bryan N. Williams Ekaterina Tkatchouk William A. Goddard Paula L. Diaconescu

Journal of the American Chemical Society (2009) 131, 10269-10278

a=11.5417(17)Å b=33.162(5)Å c=11.1501(17)Å

α=90.00° β=110.935(2)° γ=90.00°

2(C₄₄H₅₆N₈O₈)_,2(C₃₆H₃₂N₄)_,C₆H₁₄O_,8(F₆P)_,9(C₂H₃N)

Albert C. Fahrenbach Zhixue Zhu Dennis Cao Wei-Guang Liu Hao Li Sanjeev K. Dey Subhadeep Basu Ali Trabolsi Youssry Y. Botros William A. Goddard J. Fraser Stoddart

Journal of the American Chemical Society (2012) 134, 16275-16288

a=15.2916(13)Å b=26.090(2)Å c=26.927(3)Å

α=103.784(6)° β=90.188(6)° γ=99.938(5)°

C₆₃H₄₈Mn₄N₆O_12.09,4(C₄H₈O)

Jacob S. Kanady Jose L. Mendoza-Cortes Emily Y. Tsui Robert J. Nielsen William A. Goddard Theodor Agapie

Journal of the American Chemical Society (2013) 135, 1073-1082

a=13.7255(6)Å b=18.1596(7)Å c=28.1662(11)Å

α=90.00° β=92.620(2)° γ=90.00°

C₇₀H₆₁F₃Mn₃N₇O₁₇SSc

Jacob S. Kanady Jose L. Mendoza-Cortes Emily Y. Tsui Robert J. Nielsen William A. Goddard Theodor Agapie

Journal of the American Chemical Society (2013) 135, 1073-1082

a=13.7160(7)Å b=15.8986(7)Å c=16.3736(8)Å

α=73.250(2)° β=84.410(3)° γ=72.393(2)°

C₂₄H₄₀Ir₂O₁₂

William J. Tenn Kenneth J. H. Young Gaurav Bhalla Jonas Oxgaard William A. Goddard Roy A. Periana

Journal of the American Chemical Society (2005) 127, 14172-14173

a=7.8771(16)Å b=11.924(2)Å c=16.046(3)Å

α=80.722(4)° β=84.914(3)° γ=84.786(3)°

C₁₇H₂₃Cl₃IrNO₅

William J. Tenn Kenneth J. H. Young Gaurav Bhalla Jonas Oxgaard William A. Goddard Roy A. Periana

Journal of the American Chemical Society (2005) 127, 14172-14173

a=11.2909(8)Å b=13.7659(10)Å c=13.9240(10)Å

α=90.00° β=90.00° γ=90.00°

2(F₆P)_,C₃₆H₃₂N₄

Lipke, Mark C.Cheng, Tao Wu, Yilei Arslan, Hasan Xiao, Hai Wasielewski, Michael R.Goddard, William A.Stoddart, J. Fraser

Journal of the American Chemical Society (2017)

a=25.6496(9)Å b=8.7129(3)Å c=20.6646(12)Å

α=90° β=126.9238(13)° γ=90°

2(F₆P)_,C₄₈H₄₀N_4,2(C₆H₁₄O)

Lipke, Mark C.Cheng, Tao Wu, Yilei Arslan, Hasan Xiao, Hai Wasielewski, Michael R.Goddard, William A.Stoddart, J. Fraser

Journal of the American Chemical Society (2017)

a=18.9571(10)Å b=11.2860(6)Å c=13.8878(8)Å

α=90° β=90° γ=90°

8(F₃P_0.5)_,2(C₁₈H₁₆N₂)_,2(C₂₄H₂₀N₂)_,4(C₂H₃N)

Lipke, Mark C.Cheng, Tao Wu, Yilei Arslan, Hasan Xiao, Hai Wasielewski, Michael R.Goddard, William A.Stoddart, J. Fraser

Journal of the American Chemical Society (2017)

a=16.436(2)Å b=17.359(2)Å c=18.633(2)Å

α=80.501(6)° β=70.268(5)° γ=63.067(5)°

C₁₂H₁₁Cl₂F₃N₄O₂Pt

Oleg A. Mironov Steven M. Bischof Michael M. Konnick Brian G. Hashiguchi Vadim R. Ziatdinov William A. Goddard Mårten Ahlquist Roy A. Periana

Journal of the American Chemical Society (2013) 135, 14644-14658

a=8.9805(13)Å b=23.393(3)Å c=7.7775(11)Å

α=90.00° β=96.713(2)° γ=90.00°

C_9.5H₉Cl₄N_4.5OPt

Oleg A. Mironov Steven M. Bischof Michael M. Konnick Brian G. Hashiguchi Vadim R. Ziatdinov William A. Goddard Mårten Ahlquist Roy A. Periana

Journal of the American Chemical Society (2013) 135, 14644-14658

a=17.908(5)Å b=13.152(3)Å c=12.165(3)Å

α=90.00° β=90.00° γ=90.00°