Structures published

Total: 47

Mn9-lipoate Delta-Delta enantiomer

C₇₈H₁₀₂Mn₉N₆O₂₈S_6,Cl

Mitcov, Dmitri Pedersen, Anders Hjordt Ceccato, Marcel Gelardi, Rikke Munch Hassenkam, Tue Konstantatos, Andreas Reinholdt, Anders Sørensen, Mikkel A.Thulstrup, Peter Waaben Waaben Vinum, Morten Gotthold Wilhelm, Fabrice Rogalev, Andrei Wernsdorfer, Wolfgang Brechin, Euan K.Piligkos, Stergios

Chemical Science (2019)

a=13.4007(6)Å b=25.1409(11)Å c=26.8999(12)Å

α=90° β=90° γ=90°

CrCl2pyz2

C₈H₁₆Cl₂CrN₄

Kasper S. Pedersen Panagiota Perlepe Michael L. Aubrey Daniel N. Woodruff Sebastian E. Reyes-Lillo Anders Reinholdt Laura Voigt Zheshen Li Kasper Borup Mathieu Rouzieres Dumitru Samohvalov Fabrice Wilhelm Andrei Rogalev Jeffrey B. Neaton Jeffrey R. Long Rodolphe Clerac

Nature Chemistry (2018) 10, 1056-1061

a=6.90351(4)Å b=6.97713(4)Å c=10.82548(6)Å

α=90° β=90° γ=90°

C₂₀H₂₀Cl₂CrN_4,0.25(H₂O)_,ClO₄

C₂₀H₂₀Cl₂CrN_4,0.25(H₂O)_,ClO₄

Kasper S. Pedersen Panagiota Perlepe Michael L. Aubrey Daniel N. Woodruff Sebastian E. Reyes-Lillo Anders Reinholdt Laura Voigt Zheshen Li Kasper Borup Mathieu Rouzieres Dumitru Samohvalov Fabrice Wilhelm Andrei Rogalev Jeffrey B. Neaton Jeffrey R. Long Rodolphe Clerac

Nature Chemistry (2018) 10, 1056-1061

a=13.4559(3)Å b=15.1420(4)Å c=23.1601(6)Å

α=90° β=93.2000(10)° γ=90°

Bis[(μ-chloro-carbonylrhodium(I))-μ-carbido-dichlorobistricyclohexylphosphinruthenium(VI)]

C_81.47H_144.40Cl_8.53O_3.16P₄Rh₂Ru₂

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=32.65(2)Å b=13.40(2)Å c=23.89(2)Å

α=90.00° β=109.79(2)° γ=90.00°

Dichlorobistriphenylphosphinruthenium(VI)-mu-carbido-chlorogold(I)

C₃₇H₆₆AuCl₃P₂Ru

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=13.392(2)Å b=17.6830(10)Å c=20.172(2)Å

α=90.000(9)° β=121.735(11)° γ=90.000(7)°

Bis[mu-carbido(dichlorobis(tricyclohexylphosphine)ruthenium(VI)]gold(I)-tetrafluoroborate

C₇₄H₁₃₂AuCl₄P₄Ru_2,BF_4,2(CHCl₃)

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=19.988(4)Å b=16.619(4)Å c=27.233(4)Å

α=90.000° β=100.779(15)° γ=90.000°

C₄₂H₇₁Cl₄NP₂PtRu_,CHCl₃

C₄₂H₇₁Cl₄NP₂PtRu_,CHCl₃

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=9.6223(3)Å b=14.2389(5)Å c=18.6464(7)Å

α=85.8029(11)° β=78.4958(10)° γ=76.9593(10)°

C₃₇H₆₆Cl₅P₂PdRu_,C₃₆H₃₀NP₂

C₃₇H₆₆Cl₅P₂PdRu_,C₃₆H₃₀NP₂

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=11.5671(14)Å b=13.5147(13)Å c=24.091(3)Å

α=76.202(4)° β=88.744(4)° γ=72.724(4)°

C₇₅H₁₃₂Cl₅IrOP₄Ru_2,2(CHCl₃)_,C₄H₁₀O

C₇₅H₁₃₂Cl₅IrOP₄Ru_2,2(CHCl₃)_,C₄H₁₀O

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=13.8110(18)Å b=40.893(6)Å c=16.343(2)Å

α=90° β=97.877(5)° γ=90°

C₄₅H₇₈Cl₃IrP₂Ru_,C₆H₁₄

C₄₅H₇₈Cl₃IrP₂Ru_,C₆H₁₄

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=10.9458(6)Å b=15.8362(9)Å c=16.7533(10)Å

α=111.788(2)° β=96.293(2)° γ=99.958(2)°

C₃₇H₆₆Cl₅P₂PtRu_,C₂₄H₂₀As_,CH₂Cl_2,CO_,O

C₃₇H₆₆Cl₅P₂PtRu_,C₂₄H₂₀As_,CH₂Cl_2,CO_,O

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=11.3070(19)Å b=13.3050(9)Å c=24.398(5)Å

α=75.582(9)° β=88.059(13)° γ=71.085(6)°

C₄₅H₇₈Cl₃P₂RhRu_,CH₂Cl₂

C₄₅H₇₈Cl₃P₂RhRu_,CH₂Cl₂

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=10.9350(12)Å b=12.9950(5)Å c=18.693(3)Å

α=78.174(4)° β=75.183(12)° γ=75.241(8)°

C₃₉H₇₂Cl₄OP₂PtRuS_,CH₂Cl₂

C₃₉H₇₂Cl₄OP₂PtRuS_,CH₂Cl₂

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=10.4320(7)Å b=12.7130(12)Å c=19.025(3)Å

α=77.214(9)° β=80.085(5)° γ=82.926(6)°

Mu-carbido-[(4'-phenyl-2,2':6',2''-terpyridine)silver(I)-dichlorobis(tricyclohexylphosphine)ruthenium(VI)]triflate

C₆₁H₈₃AgCl₈F₃N₃O₃P₂RuS

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=13.2970(6)Å b=14.5500(13)Å c=18.9060(17)Å

α=111.639(7)° β=93.007(5)° γ=92.517(6)°

Mu-carbido-[(2,2':6',2''-terpyridine)silver(I)-dichlorobis(tricyclohexylphosphine)ruthenium(VI)]triflate

C₅₂H₇₇AgCl₂N₃P₂Ru_,CF₃O₃S_,2(CHCl₃)

Reinholdt, Anders Vibenholt, Johan E.Morsing, Thorbjørn J.Schau-Magnussen, Magnus Reeler, Nini E. A.Bendix, Jesper

Chem. Sci. (2015) 6, 10 5815

a=14.2480(9)Å b=15.8140(18)Å c=16.6070(18)Å

α=70.503(9)° β=74.933(5)° γ=68.534(9)°

C₂₈H₄₃ClN₂PPt_,Cl_,5(H₂O)

C₂₈H₄₃ClN₂PPt_,Cl_,5(H₂O)

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=9.4929(4)Å b=13.9948(5)Å c=14.1277(6)Å

α=110.1374(13)° β=105.0071(14)° γ=92.6871(14)°

C₂₉H₄₃Cl₄N₂PPtRu_,CH₂Cl₂

C₂₉H₄₃Cl₄N₂PPtRu_,CH₂Cl₂

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=10.0388(5)Å b=11.4072(6)Å c=15.5551(9)Å

α=92.9312(19)° β=90.6096(18)° γ=94.4168(18)°

C₄₄H₈₁Cl₄OP₃PtRu

C₄₄H₈₁Cl₄OP₃PtRu

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=15.8062(7)Å b=16.5261(7)Å c=19.3331(7)Å

α=90° β=91.648(2)° γ=90°

C₅₁H₄₄Cl₄P₄PtRu

C₅₁H₄₄Cl₄P₄PtRu

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=18.9000(9)Å b=21.5155(9)Å c=16.3370(13)Å

α=90° β=120.9354(16)° γ=90°

C₂₈H₄₃ClN₂PPt_,Cl_,H₂O

C₂₈H₄₃ClN₂PPt_,Cl_,H₂O

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=9.674(2)Å b=10.329(2)Å c=15.976(3)Å

α=90.696(8)° β=106.253(7)° γ=99.069(7)°

C₅₅H₇₈Cl₂N₃P₂PtRu_,C₂₄H₂₀B

C₅₅H₇₈Cl₂N₃P₂PtRu_,C₂₄H₂₀B

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=12.9504(15)Å b=14.9184(18)Å c=20.154(2)Å

α=104.998(4)° β=99.652(4)° γ=97.274(5)°

C₅₁H₉₂Cl₄P₄PtRu_,C₂H₃N_,0.5(CN)_,0.5(CH₃)

C₅₁H₉₂Cl₄P₄PtRu_,C₂H₃N_,0.5(CN)_,0.5(CH₃)

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=14.6472(6)Å b=19.8469(8)Å c=21.3940(8)Å

α=90° β=97.1342(18)° γ=90°

C₄₅H₆₉ClNP₂Ru_,6.5(CHCl₃)_,Cl

C₄₅H₆₉ClNP₂Ru_,6.5(CHCl₃)_,Cl

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=16.7297(10)Å b=19.5656(10)Å c=21.1868(13)Å

α=90° β=94.149(3)° γ=90°

C₅₅H₇₉Cl₂N₃P₂PtRu_,1.33(Cl)_,4(C_0.33H_0.33Cl)

C₅₅H₇₉Cl₂N₃P₂PtRu_,1.33(Cl)_,4(C_0.33H_0.33Cl)

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=28.4392(9)Å b=28.4392(9)Å c=13.8884(5)Å

α=90° β=90° γ=120°

C₂₅H₄₃Cl₄N₄OPPtRu_,3(CHCl₃)

C₂₅H₄₃Cl₄N₄OPPtRu_,3(CHCl₃)

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=14.4348(7)Å b=11.4929(6)Å c=27.5886(14)Å

α=90° β=104.6569(19)° γ=90°

C₅₁H₄₄Cl₄P₄PtRu_,0.62(CH₂Cl₂)_,C₂H₃N_,0.38(C₄H₁₀O)

C₅₁H₄₄Cl₄P₄PtRu_,0.62(CH₂Cl₂)_,C₂H₃N_,0.38(C₄H₁₀O)

Reinholdt, Anders Hill, Anthony F.Bendix, Jesper

Chemical communications (Cambridge, England) (2018) 54, 45 5708-5711

a=13.1006(5)Å b=13.1671(6)Å c=18.1048(8)Å

α=72.0661(15)° β=72.0477(15)° γ=63.5052(14)°

C₆₇H₈₈Cl₄CrNO₄P₂PtRu_,2(CH₂Cl₂)

C₆₇H₈₈Cl₄CrNO₄P₂PtRu_,2(CH₂Cl₂)

Reinholdt, Anders Bendix, Jesper

Chemical Communications (2019)

a=13.8990(5)Å b=14.2368(5)Å c=18.9706(7)Å

α=86.8201(13)° β=88.6083(13)° γ=73.9461(12)°

C₆₇H₈₈Cl₄CrNO₄P₂PtRu

C₆₇H₈₈Cl₄CrNO₄P₂PtRu

Reinholdt, Anders Bendix, Jesper

Chemical Communications (2019)

a=13.9110(6)Å b=23.2724(10)Å c=32.5218(13)Å

α=88.0019(15)° β=78.0480(14)° γ=82.9501(14)°

C₅₅H₈₇Cl₂Mo₃P₂PtRuS_4,3(CHCl₃)_,C₇H₇O₃S

C₅₅H₈₇Cl₂Mo₃P₂PtRuS_4,3(CHCl₃)_,C₇H₇O₃S

Reinholdt, Anders Herbst, Konrad Bendix, Jesper

Chemical communications (Cambridge, England) (2016) 52, 10 2015-2018

a=22.0554(19)Å b=9.9627(9)Å c=36.388(3)Å

α=90° β=93.738(2)° γ=90°

C₅₅H₈₇Cl₂Mo₃P₂PdRuS_4,C₃₇H_65.77Cl₅P₂PdRu_,CHCl_3,C_2.19H_4.56Cl_1.81O_0.4

C₅₅H₈₇Cl₂Mo₃P₂PdRuS_4,C₃₇H_65.77Cl₅P₂PdRu_,CHCl_3,C_2.19H_4.56Cl_1.81O_0.4

Reinholdt, Anders Herbst, Konrad Bendix, Jesper

Chemical communications (Cambridge, England) (2016) 52, 10 2015-2018

a=13.8281(9)Å b=17.5883(11)Å c=23.8941(16)Å

α=80.217(2)° β=75.331(2)° γ=84.330(3)°

C₅₅H₈₇Cl₂P₂PtRuS₄W_3,3(CHCl₃)_,C₇H₇O₃S

C₅₅H₈₇Cl₂P₂PtRuS₄W_3,3(CHCl₃)_,C₇H₇O₃S

Reinholdt, Anders Herbst, Konrad Bendix, Jesper

Chemical communications (Cambridge, England) (2016) 52, 10 2015-2018

a=22.1025(17)Å b=9.9658(8)Å c=36.424(3)Å

α=90° β=93.775(2)° γ=90°

C₄₃H₇₈AgCl₂P₂RuS_3,CF₃O₃S_,C_2.92H_6.77Cl_1.08O_0.64

C₄₃H₇₈AgCl₂P₂RuS_3,CF₃O₃S_,C_2.92H_6.77Cl_1.08O_0.64

Reinholdt, Anders Herbst, Konrad Bendix, Jesper

Chemical communications (Cambridge, England) (2016) 52, 10 2015-2018

a=9.5010(4)Å b=22.3773(10)Å c=27.2642(11)Å

α=90° β=90° γ=90°

C₄₃H₇₈Cl₂CuP₂RuS_3,CHCl_3,BF_4,1.5(C₂H₅O_0.5)

C₄₃H₇₈Cl₂CuP₂RuS_3,CHCl_3,BF_4,1.5(C₂H₅O_0.5)

Reinholdt, Anders Herbst, Konrad Bendix, Jesper

Chemical communications (Cambridge, England) (2016) 52, 10 2015-2018

a=9.636(3)Å b=17.256(5)Å c=18.491(7)Å

α=91.100(14)° β=97.986(16)° γ=99.976(12)°

C₅₅H₈₇Cl₂P₂PdRuS₄W_3,C₃₇H₆₆Cl₅P₂PdRu_,1.78(CHCl₃)_,0.22(C₄O)

C₅₅H₈₇Cl₂P₂PdRuS₄W_3,C₃₇H₆₆Cl₅P₂PdRu_,1.78(CHCl₃)_,0.22(C₄O)

Reinholdt, Anders Herbst, Konrad Bendix, Jesper

Chemical communications (Cambridge, England) (2016) 52, 10 2015-2018

a=13.8702(4)Å b=17.6143(5)Å c=23.8397(8)Å

α=80.2950(10)° β=75.2550(10)° γ=83.9490(10)°

C₃₀H₄₉B₁N₆O₂Sn₁W₁

C₃₀H₄₉B₁N₆O₂Sn₁W₁

Reinholdt, Anders Bendix, Jesper Hill, Anthony F.Manzano, Richard A.

Dalton transactions (Cambridge, England : 2003) (2018) 47, 42 14893-14896

a=15.1363(2)Å b=15.7836(2)Å c=14.4560(2)Å

α=90° β=90° γ=90°

C₅₅H₈₈Au₂BCl₃N₆O₂P₂RuW

C₅₅H₈₈Au₂BCl₃N₆O₂P₂RuW

Reinholdt, Anders Bendix, Jesper Hill, Anthony F.Manzano, Richard A.

Dalton transactions (Cambridge, England : 2003) (2018) 47, 42 14893-14896

a=13.8516(3)Å b=14.6061(3)Å c=17.1538(4)Å

α=73.1381(17)° β=81.6834(17)° γ=65.5781(18)°

C₁₂H₂₈CoN₅O_4,2(Cl)_,2(H₂O)

C₁₂H₂₈CoN₅O_4,2(Cl)_,2(H₂O)

Temizsoy, Mehmet Sethi, Waqas Reinholdt, Anders Schau-Magnussen, Magnus Bendix, Jesper Hammershøi, Anders

Dalton transactions (Cambridge, England : 2003) (2015) 44, 42 18438-18446

a=9.6314(6)Å b=13.5664(6)Å c=14.7998(8)Å

α=90° β=90° γ=90°

2(I)_,C₁₀H₂₆CoN₅O_4,H₂O

2(I)_,C₁₀H₂₆CoN₅O_4,H₂O

Temizsoy, Mehmet Sethi, Waqas Reinholdt, Anders Schau-Magnussen, Magnus Bendix, Jesper Hammershøi, Anders

Dalton transactions (Cambridge, England : 2003) (2015) 44, 42 18438-18446

a=21.619(3)Å b=9.0014(10)Å c=22.283(3)Å

α=90° β=117.732(6)° γ=90°

C₁₂H₂₈CoN₅O_3,2(Cl)_,2(H₂O)

C₁₂H₂₈CoN₅O_3,2(Cl)_,2(H₂O)

Temizsoy, Mehmet Sethi, Waqas Reinholdt, Anders Schau-Magnussen, Magnus Bendix, Jesper Hammershøi, Anders

Dalton transactions (Cambridge, England : 2003) (2015) 44, 42 18438-18446

a=8.9450(3)Å b=12.4236(4)Å c=17.4130(6)Å

α=90° β=90° γ=90°

Mn9-lipoate Lambda-Lambda enantiomer

C₇₈H₁₀₂Mn₉N₆O₂₈S_6,Cl

Mitcov, Dmitri Pedersen, Anders Hjordt Ceccato, Marcel Gelardi, Rikke Munch Hassenkam, Tue Konstantatos, Andreas Reinholdt, Anders Sørensen, Mikkel A.Thulstrup, Peter Waaben Waaben Vinum, Morten Gotthold Wilhelm, Fabrice Rogalev, Andrei Wernsdorfer, Wolfgang Brechin, Euan K.Piligkos, Stergios

Chemical Science (2019)

a=13.3925(3)Å b=25.1226(8)Å c=27.0041(9)Å

α=90° β=90° γ=90°

C₃₉H₆₆N₂P₂Ru

C₃₉H₆₆N₂P₂Ru

Morsing, Thorbjørn J.Reinholdt, Anders Sauer, Stephan P. A.Bendix, Jesper

Organometallics (2015) 35, 2 100

a=13.9870(8)Å b=14.9950(9)Å c=20.2280(11)Å

α=90.00° β=112.449(2)° γ=90.00°

C₃₇H₆₆BrClP₂Ru

C₃₇H₆₆BrClP₂Ru

Morsing, Thorbjørn J.Reinholdt, Anders Sauer, Stephan P. A.Bendix, Jesper

Organometallics (2015) 35, 2 100

a=13.2074(5)Å b=23.3788(9)Å c=13.6727(5)Å

α=90° β=115.7250(10)° γ=90°

C₃₉H₆₉ClNP₂Ru_,CF₃O₃S

C₃₉H₆₉ClNP₂Ru_,CF₃O₃S

Morsing, Thorbjørn J.Reinholdt, Anders Sauer, Stephan P. A.Bendix, Jesper

Organometallics (2015) 35, 2 100

a=10.0150(16)Å b=14.317(2)Å c=15.830(2)Å

α=81.185(6)° β=86.493(6)° γ=72.928(6)°

C₃₈H₆₆ClNP₂Ru

C₃₈H₆₆ClNP₂Ru

Morsing, Thorbjørn J.Reinholdt, Anders Sauer, Stephan P. A.Bendix, Jesper

Organometallics (2015) 35, 2 100

a=13.2252(6)Å b=23.4044(10)Å c=13.5975(7)Å

α=90° β=115.829(2)° γ=90°

C₄₀H₆₆N₄P₂Ru_,2(C₂₄H₂₀P)_,6(CHCl₃)

C₄₀H₆₆N₄P₂Ru_,2(C₂₄H₂₀P)_,6(CHCl₃)

Morsing, Thorbjørn J.Reinholdt, Anders Sauer, Stephan P. A.Bendix, Jesper

Organometallics (2015) 35, 2 100

a=12.421(4)Å b=13.919(4)Å c=16.511(6)Å

α=88.966(15)° β=76.208(15)° γ=67.398(14)°

C₃₈H₆₆ClNOP₂Ru

C₃₈H₆₆ClNOP₂Ru

Morsing, Thorbjørn J.Reinholdt, Anders Sauer, Stephan P. A.Bendix, Jesper

Organometallics (2015) 35, 2 100

a=13.1947(4)Å b=23.4389(7)Å c=13.5623(4)Å

α=90° β=115.4970(10)° γ=90°

Charoite

Ba_0.16Ca_12.82FH_4.18K_6.94Mn_0.18Na_3.18O_92.59Si₃₅Sr_0.5

Rozhdestvenskaya, I.Mugnaioli, E.Czank, M.Depmeier, W.Kolb, U.Reinholdt, A.Weirich, T.

Mineralogical Magazine (2010) 74, 159-177

a=31.96Å b=19.64Å c=7.09Å

α=90° β=90.0° γ=90°