Structures published

Total: 313

3-(1H-Tetrazol-5-yl)pyridinium chloride

C₆H₆N_5,Cl

Dai, Jing Yu, Miao-Jia

Acta Crystallographica Section E (2009) 65, 6 o1391

a=4.2741(9)Å b=8.1992(16)Å c=23.559(5)Å

α=90.00° β=94.72(3)° γ=90.00°

2-(2-Pyrrolidinio)-1H-benzimidazol-3-ium dinitrate

C₁₁H₁₅N_32,2NO₃

Dai, Jing

Acta Crystallographica Section E (2009) 65, 6 o1360

a=22.078(2)Å b=11.1540(10)Å c=14.6700(10)Å

α=90.000° β=127.180(10)° γ=90.000°

2-(2H-Tetrazol-5-yl)pyridinium perchlorate monohydrate

C₆H₆N_5,ClO_4,H₂O

Dai, Jing Zheng, Wen-Ni

Acta Crystallographica Section E (2010) 66, 1 o71

a=7.9945(16)Å b=8.8679(18)Å c=9.4184(19)Å

α=78.28(3)° β=70.20(3)° γ=67.97(3)°

(2,2-Bipyridine-κ^2^N,N')bis(4-hydroxybenzoato- κ^2^O,O')lead(II) monohydrate

C₂₄H₁₈N₂O₆Pb_,H₂O

Dai, Jun Yang, Juan

Acta Crystallographica Section E (2010) 66, 2 m237

a=10.9483(4)Å b=17.5194(6)Å c=12.0479(4)Å

α=90.00° β=100.334(2)° γ=90.00°

Bis(benzoato-κ^2^O,O)(1,10-phenanthroline- κ^2^N,N')lead(II) benzoic acid monosolvate

C₂₆H₁₈N₂O₄Pb_,C₇H₆O₂

Dai, Jun Yang, Juan Li, Jiantong

Acta Crystallographica Section E (2010) 66, 12 m1661-m1662

a=10.0725(8)Å b=10.5697(8)Å c=15.5477(17)Å

α=93.414(2)° β=102.836(2)° γ=117.9720(10)°

3-Cyanoanilinium iodide monohydrate

C₇H₇N_2,I_,H₂O

Dai, Jing Chen, Xin-Yuan

Acta Crystallographica Section E (2010) 66, 12 o3295

a=8.0436(16)Å b=16.603(3)Å c=7.6746(15)Å

α=90.00° β=115.39(3)° γ=90.00°

Di-μ-aqua-bis{triaqua[5-(1-oxopyridin-4-yl)tetrazol-1-ido]sodium}

C₁₂H₂₄N₁₀Na₂O₁₀

Dai, Jing Chen, Xin-Yuan

Acta Crystallographica Section E (2011) 67, 1 m111

a=6.887(2)Å b=7.5200(15)Å c=12.258(5)Å

α=78.16(4)° β=83.42(4)° γ=66.68(3)°

2,4,6-Trimethylpyridinium dihydrogen phosphate

C₈H₉N_,H₂O₄P

Cai, Hong-Ling Dai, Jing

Acta Crystallographica Section E (2011) 67, 1 o72

a=8.6323(17)Å b=6.7133(13)Å c=8.6841(17)Å

α=90.00° β=100.99(3)° γ=90.00°

Tetrakis(μ-4-tert-butylbenzoato)-κ^4^O:O; κ^3^O,O':O';κ^3^O:O,O'- bis[aqua(4-tert-butylbenzoato-κ^2^O,O')(4-tert- butylbenzoic acid-κO)neodymium(III)]

C₈₈H₁₁₀Nd₂O₁₈

Yang, Juan Dai, Jun

Acta Crystallographica Section E (2011) 67, 6 m666-m667

a=35.261(2)Å b=9.3563(6)Å c=27.9406(18)Å

α=90.00° β=107.3030(10)° γ=90.00°

Tetrakis(μ-4-tert-butylbenzoato)- κ^3^O:O,O;κ^3^O,O':O'; κ^4^O:O'-bis[aquabis(4-tert-butylbenzoato- κ^2^O,O')(4-tert-butylbenzoic acid-κO)praseodymium(III)]

C₈₈H₁₁₀O₁₈Pr₂

Dai, Jun Pan, Rong-Kun Yang, Juan

Acta Crystallographica Section E (2011) 67, 8 m1160-m1161

a=35.194(6)Å b=9.3857(18)Å c=27.956(5)Å

α=90.00° β=107.073(4)° γ=90.00°

catena-Poly[(dichloridocadmium)-di-μ-chlorido- [bis(morpholinium-κO)cadmium]-di-μ-chlorido]

C₈H₂₀Cd₂Cl₆N₂O₂

Wang, Wen-xiang Dai, Jing

Acta Crystallographica Section E (2011) 67, 8 m1144

a=7.0496(14)Å b=14.404(3)Å c=17.583(4)Å

α=90.00° β=90.00° γ=90.00°

2-(2-Chlorophenyl)-2-oxo-N-phenylacetamide

C₁₄H₁₀ClNO₂

Dai, Jing Wu, Jin-Long

Acta Crystallographica Section E (2011) 67, 12 o3152

a=11.3513(11)Å b=10.4585(8)Å c=10.2944(10)Å

α=90.00° β=100.954(10)° γ=90.00°

C₁₆H₉NO₄S₂Zn

Weng, Yi-Gang Yin, Wen-Yu Jiang, Miao Hou, Jin-Le Shao, Jie Zhu, Qin-Yu Dai, Jie

ACS applied materials & interfaces (2020)

a=10.951(2)Å b=10.931(2)Å c=21.238(4)Å

α=90° β=99.78(3)° γ=90°

C₅₁H₃₅N₅O₉S₈Zn₂

Weng, Yi-Gang Yin, Wen-Yu Jiang, Miao Hou, Jin-Le Shao, Jie Zhu, Qin-Yu Dai, Jie

ACS applied materials & interfaces (2020)

a=17.9642(7)Å b=18.9843(7)Å c=17.5158(7)Å

α=90° β=90° γ=90°

C₂₆H₁₆N₂O₈Zn

Hu, Shuzhi Zhang, Jie Chen, Shuhuang Dai, Jingcao Fu, Zhiyong

ACS applied materials & interfaces (2017) 9, 46 39926-39929

a=10.100(2)Å b=15.200(3)Å c=14.300(3)Å

α=90° β=104.50(3)° γ=90°

C₆₄H₂₉₆Cu₂₀In₃₂N₆₄S₇₈

Zhao, Xiao-Wei Qian, Li-Wen Su, Hu-Chao Mo, Chong-Jiao Que, Chen-Jie Zhu, Qin-Yu Dai, Jie

Crystal Growth & Design (2015) 15, 12 5749

a=20.0486(4)Å b=20.0486(4)Å c=71.7730(17)Å

α=90° β=90° γ=120°

C₂₇H₂₈N₄O₄

Dai, Jianxin Wang, Minyan Chai, Guobi Fu, Chunling Ma, Shengming

Journal of the American Chemical Society (2016) 138, 8 2532-2535

a=8.8093(14)Å b=18.443(2)Å c=31.202(5)Å

α=90.00° β=90.00° γ=90.00°

C₂₄H₃₄O₃

Ren, Wenlong Chang, Wenju Dai, Jie Shi, Yuan Li, Jingfu Shi, Yian

Journal of the American Chemical Society (2016) 138, 45 14864-14867

a=6.8280(14)Å b=9.5590(19)Å c=31.669(6)Å

α=90.00° β=90.00° γ=90.00°

C₂₄H₂₂N₄O₂

Gurr, Joshua R.Dai, Jingqiu Philbin, Casey S.Sartain, Hope T.O'Donnell, Timothy J Yoshida, Wesley Y.Rheingold, Arnold L.Williams, Philip G.

The Journal of organic chemistry (2019)

a=18.3998(13)Å b=22.4395(13)Å c=9.6817(6)Å

α=90° β=90° γ=90°

C₃₄H₃₆N₄O₈

Gurr, Joshua R.Dai, Jingqiu Philbin, Casey S.Sartain, Hope T.O'Donnell, Timothy J Yoshida, Wesley Y.Rheingold, Arnold L.Williams, Philip G.

The Journal of organic chemistry (2019)

a=8.9116(3)Å b=15.1687(5)Å c=24.1124(8)Å

α=90° β=90° γ=90°

C₄₀H₄₆N₄O₁₀

Gurr, Joshua R.Dai, Jingqiu Philbin, Casey S.Sartain, Hope T.O'Donnell, Timothy J Yoshida, Wesley Y.Rheingold, Arnold L.Williams, Philip G.

The Journal of organic chemistry (2019)

a=49.8772(19)Å b=13.6789(5)Å c=26.9490(9)Å

α=90° β=105.632(2)° γ=90°

C₁₆H₁₆ClNO₃S

Shaw, Scott A.Balasubramanian, Balu Bonacorsi, Samuel Cortes, Janet Caceres Cao, Kevin Chen, Bang-Chi Dai, Jun Decicco, Carl Goswami, Animesh Guo, Zhiwei Hanson, Ronald Humphreys, W. Griffith Lam, Patrick Y. S.Li, Wenying Mathur, Arvind Maxwell, Brad D.Michaudel, Quentin Peng, Li Pudzianowski, Andrew Qiu, Feng Su, Shun Sun, Dawn Tymiak, Adrienne A.Vokits, Benjamin P.Wang, Bei Wexler, Ruth Wu, Dauh-Rurng Zhang, Yingru Zhao, Rulin Baran, Phil S.

The Journal of organic chemistry (2015) 80, 14 7019-7032

a=6.6560(11)Å b=15.213(3)Å c=8.0795(14)Å

α=90.00° β=102.591(9)° γ=90.00°

C₁₄H₂₂O₅

The Journal of organic chemistry (2015) 80, 14 7019-7032

a=15.150(4)Å b=15.150Å c=5.685(2)Å

α=90° β=90° γ=120°

BaHg₂Tl₂

Jing-Cao Dai Shalabh Gupta Olivier Gourdon Hyun-Jeong Kim John D. Corbett

Journal of the American Chemical Society (2009) 131, 8677-8682

a=10.6060(15)Å b=10.6060(15)Å c=5.1590(10)Å

α=90.00° β=90.00° γ=90.00°

?

BaHg₂Tl₂

Jing-Cao Dai Shalabh Gupta Olivier Gourdon Hyun-Jeong Kim John D. Corbett

Journal of the American Chemical Society (2009) 131, 8677-8682

a=10.5933(6)Å b=10.5933(6)Å c=5.1594(3)Å

α=90° β=90° γ=90°

C₂₃H₃₄CdN₂S₇

Jie Dai Guo-Qing Bian Xin Wang Qing-Feng Xu Min-Yan Zhou Megumu Munakata Masahiko Maekawa Ming-Hong Tong Zhen-Rong Sun He-Ping Zeng

Journal of the American Chemical Society (2000) 122, 11007-11008

a=9.534(3)Å b=10.626(2)Å c=15.079(3)Å

α=90° β=91.75(2)° γ=90°

C₁₂H₉F₃N₂O₂

Jian-Jun Dai Chi Fang Bin Xiao Jun Yi Jun Xu Zhao-Jing Liu Xi Lu Lei Liu Yao Fu

Journal of the American Chemical Society (2013) 135, 8436-8439

a=10.6015(5)Å b=8.0107(5)Å c=14.2626(11)Å

α=90.00° β=92.799(7)° γ=90.00°

C₁₉H₁₃F₃Fe

Jian-Jun Dai Chi Fang Bin Xiao Jun Yi Jun Xu Zhao-Jing Liu Xi Lu Lei Liu Yao Fu

Journal of the American Chemical Society (2013) 135, 8436-8439

a=7.7098(4)Å b=8.8646(6)Å c=11.5586(5)Å

α=90.00° β=97.321(4)° γ=90.00°

C₈H₂₃MnN₅Se₇Sn₃

Jian Zhou Guo-Qing Bian Jie Dai Yong Zhang Ai-bin Tang Qin-Yu Zhu

Inorganic Chemistry (2007) 46, 1541-1543

a=12.5326(13)Å b=13.7091(15)Å c=13.9894(15)Å

α=90.00° β=90.00° γ=90.00°

C₁₆H₄₆Mn₂N₁₀Se₆Sn₂

Jian Zhou Guo-Qing Bian Jie Dai Yong Zhang Ai-bin Tang Qin-Yu Zhu

Inorganic Chemistry (2007) 46, 1541-1543

a=26.483(2)Å b=26.483(2)Å c=10.1423(9)Å

α=90.00° β=90.00° γ=90.00°

C₁₆H₄₆Mn₂N₁₀S₆Sn₂

Jian Zhou Guo-Qing Bian Jie Dai Yong Zhang Ai-bin Tang Qin-Yu Zhu

Inorganic Chemistry (2007) 46, 1541-1543

a=25.832(2)Å b=25.832(2)Å c=10.0295(9)Å

α=90.00° β=90.00° γ=90.00°

C₈H₃₂N₈Sm_,S₄Sb_,C₁H₄N₁

Ding-xian Jia Qin-Yu Zhu Jie Dai Wen Lu Wen-Juan Guo

Inorganic Chemistry (2005) 44, 819-821

a=11.0520(13)Å b=12.8847(15)Å c=16.116(2)Å

α=90.00° β=91.861(3)° γ=90.00°

C₆H₂₆N₆OS₄SbSm

Ding-xian Jia Qin-Yu Zhu Jie Dai Wen Lu Wen-Juan Guo

Inorganic Chemistry (2005) 44, 819-821

a=9.2725(6)Å b=13.3851(9)Å c=14.6863(9)Å

α=90.00° β=90.00° γ=90.00°

K₅Eu₂FSi₄O₁₃

Pei-Yun Chiang Tsai-Wei Lin Jian-Hung Dai Bor-Chen Chang Kwang-Hwa Lii

Inorganic Chemistry (2007) 46, 3619-3622

a=7.1850(2)Å b=5.7981(2)Å c=18.1675(6)Å

α=90.00° β=92.248(2)° γ=90.00°

Au₂In₂Sr

Jing-Cao Dai John D. Corbett

Inorganic Chemistry (2007) 46, 4592-4598

a=8.53200(10)Å b=4.59960(10)Å c=12.2821(2)Å

α=90.00° β=90.00° γ=90.00°

C₈H₂₆In₃N₆Te_4,Cl

Chun-Ying Li Xiao-Xia Chen Jian Zhou Qin-Yu Zhu Zhi-Xin Lei Yong Zhang Jie Dai

Inorganic Chemistry (2008) 47, 8586-8588

a=13.755(3)Å b=6.6926(12)Å c=13.692(3)Å

α=90.00° β=105.440(4)° γ=90.00°

C₁₂H₃₆In₂N₈Te_2,2(I)

Chun-Ying Li Xiao-Xia Chen Jian Zhou Qin-Yu Zhu Zhi-Xin Lei Yong Zhang Jie Dai

Inorganic Chemistry (2008) 47, 8586-8588

a=17.889(5)Å b=14.204(4)Å c=12.502(4)Å

α=90.00° β=122.940(5)° γ=90.00°

C₈H₃₂In₂N₈Te_2,2(I)

Chun-Ying Li Xiao-Xia Chen Jian Zhou Qin-Yu Zhu Zhi-Xin Lei Yong Zhang Jie Dai

Inorganic Chemistry (2008) 47, 8586-8588

a=7.1930(17)Å b=11.424(2)Å c=14.983(4)Å

α=90.00° β=97.835(6)° γ=90.00°

3(C₃₆H₂₄N₆Ni)_,H₄In₁₀S_20,14.5(H₂O)

Zhi-Xin Lei Qin-Yu Zhu Xu Zhang Wen Luo Wen-Qin Mu Jie Dai

Inorganic Chemistry (2010) 49, 4385-4387

a=16.2616(6)Å b=18.2616(6)Å c=26.2586(15)Å

α=80.874(5)° β=82.913(5)° γ=64.515(3)°

C₆₂H₂₄Cl₀In₁₀N₁₅Na₀Ni₃O₅S₁₉

Zhi-Xin Lei Qin-Yu Zhu Xu Zhang Wen Luo Wen-Qin Mu Jie Dai

Inorganic Chemistry (2010) 49, 4385-4387

a=11.8718(13)Å b=16.1979(17)Å c=29.047(3)Å

α=81.602(3)° β=86.877(4)° γ=80.291(3)°

3(C₃₆H₂₄N₆Ni)_,H₄In₁₀S_20,2(C₂NH₇)_,7(H₂O)

Zhi-Xin Lei Qin-Yu Zhu Xu Zhang Wen Luo Wen-Qin Mu Jie Dai

Inorganic Chemistry (2010) 49, 4385-4387

a=24.2549(19)Å b=20.8237(14)Å c=27.881(2)Å

α=90.00° β=103.137(3)° γ=90.00°

C₂₇H₂₈Cd₃O₂₆

Jing-Cao Dai Xin-Tao Wu Zhi-Yong Fu Chuan-Peng Cui Sheng-Min Hu Wen-Xin Du Li-Ming Wu Han-Hui Zhang Rui-Qing Sun

Inorganic Chemistry (2002) 41, 1391-1396

a=15.7547(3)Å b=15.7547(3)Å c=7.93160(10)Å

α=90.00° β=90.00° γ=120.00°

C₆H₂₄LaN₆S₄Sb

Dingxian Jia Qianxin Zhao Yong Zhang Jie Dai Jinglin Zuo

Inorganic Chemistry (2005) 44, 8861-8867

a=8.7230(15)Å b=10.2043(19)Å c=20.277(4)Å

α=90.00° β=93.818(5)° γ=90.00°

C₆H₂₆N₆NdO_,S₄Sb

Dingxian Jia Qianxin Zhao Yong Zhang Jie Dai Jinglin Zuo

Inorganic Chemistry (2005) 44, 8861-8867

a=9.2634(15)Å b=13.418(2)Å c=14.757(2)Å

α=90.00° β=90.00° γ=90.00°

C₈H₃₂EuN_8,S₄Sb_,1/2(C₂H₈N₂)

Dingxian Jia Qianxin Zhao Yong Zhang Jie Dai Jinglin Zuo

Inorganic Chemistry (2005) 44, 8861-8867

a=11.047(2)Å b=12.881(2)Å c=16.080(3)Å

α=90.00° β=91.931(4)° γ=90.00°

C₈H₃₂N₈Yb_,S₄Sb_,0.5(C₂H₈N₂)

Dingxian Jia Qianxin Zhao Yong Zhang Jie Dai Jinglin Zuo

Inorganic Chemistry (2005) 44, 8861-8867

a=11.0482(7)Å b=12.8801(8)Å c=16.0753(10)Å

α=90.00° β=91.966(2)° γ=90.00°

C₁₅H₈MnN₂O₄S_2,H₂O

Yu-Rong Qin Qin-Yu Zhu Li-Bin Huo Zheng Shi Guo-Qing Bian Jie Dai

Inorganic Chemistry (2010) 49, 7372-7381

a=24.472(4)Å b=10.4173(14)Å c=16.127(3)Å

α=90.00° β=125.049(3)° γ=90.00°

C₁₆H₁₂MnN₂O₅S_2,2(H₂O)

Yu-Rong Qin Qin-Yu Zhu Li-Bin Huo Zheng Shi Guo-Qing Bian Jie Dai

Inorganic Chemistry (2010) 49, 7372-7381

a=7.6041(5)Å b=11.2211(8)Å c=12.2046(5)Å

α=70.409(7)° β=73.137(8)° γ=80.350(9)°

C₁₈H₁₅CuN₃O₅S_2,C₃H₇NO

Yu-Rong Qin Qin-Yu Zhu Li-Bin Huo Zheng Shi Guo-Qing Bian Jie Dai

Inorganic Chemistry (2010) 49, 7372-7381

a=10.2150(3)Å b=10.4799(4)Å c=12.6602(4)Å

α=71.072(10)° β=68.047(10)° γ=69.032(10)°

C₁₇H₁₂MnN₂O₆S_2,H₂O

Yu-Rong Qin Qin-Yu Zhu Li-Bin Huo Zheng Shi Guo-Qing Bian Jie Dai

Inorganic Chemistry (2010) 49, 7372-7381

a=8.8823(11)Å b=21.903(3)Å c=10.1255(13)Å

α=90.00° β=109.547(3)° γ=90.00°

C₁₀₂H₈₄Cl₈In₈N₁₆O₇S₈

Zhi-Xin Lei Qin-Yu Zhu Ming-Hui Zhang Jian-Bing Jiang Ya-Ping Zhang Jie Dai

Inorganic Chemistry (2010) 49, 353-355

a=16.2321(19)Å b=18.453(2)Å c=20.458(3)Å

α=103.007(3)° β=107.427(2)° γ=98.118(2)°

C₄₈H₃₂Cl₄In₄N₈Se₄

Zhi-Xin Lei Qin-Yu Zhu Ming-Hui Zhang Jian-Bing Jiang Ya-Ping Zhang Jie Dai

Inorganic Chemistry (2010) 49, 353-355

a=12.1496(6)Å b=12.1496(6)Å c=34.470(2)Å

α=90.00° β=90.00° γ=90.00°

C₁₅₂H₄₁Fe₁₅In₃₂N₄₈O₁₂S₆₈

Yu-Hong Wang Ming-Hui Zhang Yun-Meng Yan Guo-Qing Bian Qin-Yu Zhu Jie Dai

Inorganic Chemistry (2010) 49, 9731-9733

a=22.9573(12)Å b=26.3107(13)Å c=27.4113(15)Å

α=90.00° β=99.803(2)° γ=90.00°

C₁₈₆H₅₂Co₁₉In₃₂N₅₈O₂S₇₆

Yu-Hong Wang Ming-Hui Zhang Yun-Meng Yan Guo-Qing Bian Qin-Yu Zhu Jie Dai

Inorganic Chemistry (2010) 49, 9731-9733

a=18.4153(8)Å b=24.1811(9)Å c=27.0841(4)Å

α=64.189(4)° β=73.679(5)° γ=85.685(7)°

2-Carboxylic Acid-4-Nitropyridine-1-Oxide

C₆H₄N₂O₅

Wu, Wenshi Wu, Dongsheng Cheng, Wendan Zhang, Hao Dai, Jincao

Crystal Growth & Design (2007) 7, 11 2316

a=13.2440(7)Å b=5.9984(3)Å c=9.0482(2)Å

α=90.00° β=90.00° γ=90.00°

2-Carboxylic Acid-4-Nitropyridine-1-Oxide

6H₄N₂O₅

Wu, Wenshi Wu, Dongsheng Cheng, Wendan Zhang, Hao Dai, Jincao

Crystal Growth & Design (2007) 7, 11 2316

a=5.5509(3)Å b=9.8139(7)Å c=13.2554(3)Å

α=90.00° β=90.00° γ=90.00°

C₁₆H₂₀CaN₂O₆S₆

Wang, Jin-Po Lu, Zhe-Jun Zhu, Qin-Yu Zhang, Ya-Ping Qin, Yu-Rong Bian, Guo-Qing Dai, Jie

Crystal Growth & Design (2010) 10, 5 2090

a=7.535(3)Å b=9.586(4)Å c=17.444(7)Å

α=99.266(8)° β=96.911(7)° γ=99.438(3)°

C₂₃H₂₆Ca₂O₁₂S_12,CH₄O

Wang, Jin-Po Lu, Zhe-Jun Zhu, Qin-Yu Zhang, Ya-Ping Qin, Yu-Rong Bian, Guo-Qing Dai, Jie

Crystal Growth & Design (2010) 10, 5 2090

a=8.5627(11)Å b=9.0157(12)Å c=24.381(3)Å

α=95.231(11)° β=94.510(13)° γ=103.147(16)°

C₃₂H₅₈MgN₄Na₂O₂₁S₁₂

Wang, Jin-Po Lu, Zhe-Jun Zhu, Qin-Yu Zhang, Ya-Ping Qin, Yu-Rong Bian, Guo-Qing Dai, Jie

Crystal Growth & Design (2010) 10, 5 2090

a=32.4290(18)Å b=10.0820(5)Å c=16.6360(9)Å

α=90.00° β=93.7420(10)° γ=90.00°

C₁₂H₁₄N₂O₂S_6,Br

Lu, Wen Zhu, Qin-Yu Dai, Jie Zhang, Yong Bian, Guo-Qing Liu, Yu Zhang, De-Qing

Crystal Growth & Design (2007) 7, 4 652

a=7.1863(9)Å b=25.310(3)Å c=10.2043(12)Å

α=90.00° β=107.645(3)° γ=90.00°

C₂₄H₂₈N₄O₄S_12,Br₄Cu

Lu, Wen Zhu, Qin-Yu Dai, Jie Zhang, Yong Bian, Guo-Qing Liu, Yu Zhang, De-Qing

Crystal Growth & Design (2007) 7, 4 652

a=24.140(3)Å b=11.7092(12)Å c=14.2102(17)Å

α=90.00° β=98.537(3)° γ=90.00°