Search results

Formula: - C34 H63 Cl N7 O20.5 -
Comments: Norris, Timothy; VanAlsten, John; Hubbs, Stephen; Ewing, Marcus; Cai, Weiling; Jorgensen, Matthew L.; Bordner, Jon; Jensen, Grace O. Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis) Organic Process Research & Development 12(3) (2008) 447
Space group: P 32 2 1
Cell volume: 7219.94
Cell parameters: 13.3413; 13.3413; 46.8389; 90; 90; 120;

COD ID: 1505417
CIF file	Formula: - C13 H22 O3 - Comments: Song, Zhenlei; Hsung, Richard P. A formal total synthesis of (+)-zincophorin. Observation of an unusual urea-directed Stork-Crabtree hydrogenation. Organic letters 9(11) (2007) 2199-2202 Space group: P 32 2 1 Cell volume: 2047.9 Cell parameters: 9.8192; 9.8192; 24.526; 90; 90; 120;

COD ID: 1505579
CIF file	Formula: - C23 H22 N4 O15 - Comments: König, Christian M; Harms, Klaus; Koert, Ulrich Stereoselective synthesis of methyl 7-dihydro-trioxacarcinoside B. Organic letters 9(23) (2007) 4777-4779 Space group: P 32 2 1 Cell volume: 3939 Cell parameters: 12.3183; 12.3183; 29.975; 90; 90; 120;

COD ID: 1506186
CIF file	Formula: - C26 H29 N O5 - Comments: Feldman, Ken S.; Karatjas, Andrew G. Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides. Organic letters 8(18) (2006) 4137-4140 Space group: P 32 2 1 Cell volume: 3462.3 Cell parameters: 12.794; 12.794; 24.424; 90; 90; 120;

COD ID: 1506952
CIF file	Formula: - C11 H17 Br O4 - Comments: Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I. Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations. Organic letters 6(24) (2004) 4487-4489 Space group: P 32 2 1 Cell volume: 1892.36 Cell parameters: 7.208; 7.208; 42.0575; 90; 90; 120;

COD ID: 1508566

Formula: - C20 H28 Cl3 N O6 -
Comments: Amagata, Taro; Xiao, Jing; Chen, Yi-Pei; Holsopple, Nicholas; Oliver, Allen G.; Gokey, Trevor; Guliaev, Anton B.; Minoura, Katsuhiko Creation of an HDAC-Based Yeast Screening Method for Evaluation of Marine-Derived Actinomycetes: Discovery of Streptosetin A. Journal of natural products 75(12) (2012) 2193-2199
Space group: P 32 2 1
Cell volume: 3638.14
Cell parameters: 11.1313; 11.1313; 33.9045; 90; 90; 120;

COD ID: 1509707
CIF file	Formula: - Ag2 Rb S4 Sb - Comments: Schimek, G.L.; Kolis, J.W.; Wood, P.T.; Pennington, W.T. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb) Journal of Solid State Chemistry 123 (1996) 277-284 Space group: P 32 2 1 Cell volume: 635.732 Cell parameters: 6.63; 6.63; 16.7; 90; 90; 120;

COD ID: 1511443
CIF file	Formula: - B Ba O5 P - Comments: Dimitrova, O.V.; Pushcharovskii, D.Yu.; Gobechiya, E.R.; Pasero, M.; Merlino, S. Hydrothermal synthesis and crystal structures of (Li, Ba)- nanoborate, Li Ba B9 O15, and Ba-borophosphate, Ba B P O5 Journal of Alloys Compd. 339 (2002) 70-75 Space group: P 32 2 1 Cell volume: 306.494 Cell parameters: 7.114; 7.114; 6.993; 90; 90; 120;

COD ID: 1511444
CIF file	Formula: - B Ba O5 P - Comments: Du Chenxia; Wu Xicheng; Pan Shilie; Fu Peizhen; Chen Chuangyan; Zhang Guochun Study on the growth, structure of nonlinear optical crystal Ba B P O5 Rengong Jingti Xuebao 32 (2003) 281-285 Space group: P 32 2 1 Cell volume: 310.055 Cell parameters: 7.1329; 7.1329; 7.0368; 90; 90; 120;

COD ID: 1513030
CIF file	Formula: - C24 H22 Cd N4 O4 - Comments: Jens Hunger Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands Inorganica Chimica Acta 397 (2013) 60-68 Space group: P 32 2 1 Cell volume: 3460.2 Cell parameters: 12.1793; 12.1793; 26.9353; 90; 90; 120;

COD ID: 1517229
CIF file	Formula: - C20 H32 O3 - Comments: Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J. Total synthesis of the purported structure of sclerophytin f. Organic letters 16(16) (2014) 4300-4303 Space group: P 32 2 1 Cell volume: 2832.9 Cell parameters: 17.4587; 17.4587; 10.7319; 90; 90; 120;

COD ID: 1521020

Formula: - As F9 Xe2 -
Comments: Fir, B.A.; Schrobilgen, G.J.D.; Pointner, B.E.; Mercier, H.P.A.; Gerken, M.; Dixon, D.A. An X-ray crystallographic study of (Xe2 F3) (Sb F6) and dimorphism in (Xe2 F3) (As F6): and a density functional theory study of the (Xe2 F3)(+) cation Journal of Fluorine Chemistry 105 (2000) 159-167
Space group: P 32 2 1
Cell volume: 683.424
Cell parameters: 8.602; 8.602; 10.665; 90; 90; 120;

COD ID: 1529077
CIF file	Formula: - C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 - Comments: Mortezaei, Shahab; Catarineu, Noelle R.; Duan, Xueyou; Hu, Chunhua; Canary, James W. Redox-configurable ambidextrous catalysis: structural and mechanistic insight Chem. Sci. 6(10) (2015) 5904 Space group: P 32 2 1 Cell volume: 22403 Cell parameters: 29.93; 29.93; 28.878; 90; 90; 120;

COD ID: 1529316
CIF file	Formula: - C70 H79 Co2 N9 O4 - Comments: Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E. Cobalt catalyzed sp3C‒H amination utilizing aryl azides Chem. Sci. 6(11) (2015) 6672 Space group: P 32 2 1 Cell volume: 4649.5 Cell parameters: 14.064; 14.064; 27.143; 90; 90; 120;

COD ID: 1529859

Formula: - C24 H17 Br F3 N O4 -
Comments: Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes. Organic letters 17(15) (2015) 3826-3829
Space group: P 32 2 1
Cell volume: 3358.9
Cell parameters: 12.075; 12.075; 26.601; 90; 90; 120;

COD ID: 1531847
CIF file	Formula: - Ca Ir2 P2 - Comments: Loehken, A.; Mewis, A.; Johrendt, D.; Lux, C. Kristall- und elektronische Strukturen von A Ir2 P2 (A: Ca - Ba) Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1472-1476 Space group: P 32 2 1 Cell volume: 266.042 Cell parameters: 6.61; 6.61; 7.031; 90; 90; 120;

COD ID: 1532512
CIF file	Formula: - O2 Si - Comments: Kroll, P.; Milko, M. Theoretical investigation of the solid state reaction of silicon nitride and silicon dioxide forming silicon oxynitride (Si2 N2 O) under pressure Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1737-1750 Space group: P 32 2 1 Cell volume: 111.656 Cell parameters: 4.8915; 4.8915; 5.3885; 90; 90; 120;

COD ID: 1535066
CIF file	Formula: - O2 Si - Comments: Massidda, S.; Continenza, A.; Freeman, A.J.; de Pascale, T.M.; Meloni, F.; Serra, M. Interatomic potentials and the structural properties of silicon dioxide under pressure Physical Review, Serie 3. B - Condensed Matter (18,1978-) 41 (1990) 10866-10869 Space group: P 32 2 1 Cell volume: 121.342 Cell parameters: 5.02; 5.02; 5.56; 90; 90; 120;

COD ID: 1536406
CIF file	Formula: - O2 Si - Comments: Di Pompinio, A.; Continenza, A. Structural properties of alpha-quartz under high pressure and amorphization effects Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 12558-12565 Space group: P 32 2 1 Cell volume: 122.998 Cell parameters: 5.0837; 5.0837; 5.4955; 90; 90; 120;

COD ID: 1536409
CIF file	Formula: - O2 Si - Comments: Di Pompinio, A.; Continenza, A. Structural properties of alpha-quartz under high pressure and amorphization effects Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 12558-12565 Space group: P 32 2 1 Cell volume: 92.411 Cell parameters: 4.5404; 4.5404; 5.1761; 90; 90; 120;

COD ID: 1537251
CIF file	Formula: - H24 K2 Mo12 O51 Si - Comments: Gao, S.; Cao, R.; Bi, W.; Lin, Z.; Li, X. Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin units Microporous and Mesoporous Materials 80 (2005) 139-145 Space group: P 32 2 1 Cell volume: 3933.65 Cell parameters: 18.9915; 18.9915; 12.5935; 90; 90; 120;

COD ID: 1537254
CIF file	Formula: - H16 K2 Na2 O48 Si W12 - Comments: Gao, S.; Lin, Z.; Cao, R.; Bi, W.; Li, X. Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin units Microporous and Mesoporous Materials 80 (2005) 139-145 Space group: P 32 2 1 Cell volume: 3876.4 Cell parameters: 18.93; 18.93; 12.491; 90; 90; 120;

COD ID: 1537351
CIF file	Formula: - S8 V7 - Comments: Groenvold, F.; Pedersen, B.; Haraldsen, H.; Tufte, T. X-Ray and Magnetic Study of Vanadium Sulfides in the Range V5 S4 to V5 S8 Revue de Chimie Minerale 6 (1969) 215-240 Space group: P 32 2 1 Cell volume: 678.12 Cell parameters: 6.706; 6.706; 17.412; 90; 90; 120;

COD ID: 1538064
CIF file	Formula: - O2 Si - Comments: Hanic, F.; Sumichrast, L. Alpha-beta phase transition in quartz Silikaty 18 (1974) 1-9 Space group: P 32 2 1 Cell volume: 112.979 Cell parameters: 4.91304; 4.91304; 5.40463; 90; 90; 120;

COD ID: 1544367
CIF file	Formula: - C19 H20.24 Cl2 Co N4 O0.12 - Comments: Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites Catal. Sci. Technol. 6(24) (2016) 8482 Space group: P 32 2 1 Cell volume: 2885.6 Cell parameters: 9.044; 9.044; 40.737; 90; 90; 120;

COD ID: 1544488

Formula: - C25 H36 O9 -
Comments: Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products 79(10) (2016) 2479-2486
Space group: P 32 2 1
Cell volume: 8516.61
Cell parameters: 18.458; 18.458; 28.8647; 90; 90; 120;

COD ID: 1544491

Formula: - C25 H36 O9 -
Comments: Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products 79(10) (2016) 2479-2486
Space group: P 32 2 1
Cell volume: 8547.7
Cell parameters: 18.4959; 18.4959; 28.8516; 90; 90; 120;

COD ID: 1546080

Formula: - C56 H48 Br6 Fe2 N8 O16 Zn3 -
Comments: Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios [MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands. Chem. Sci. (2017)
Space group: P 32 2 1
Cell volume: 5520.9
Cell parameters: 12.8153; 12.8153; 38.817; 90; 90; 120;

COD ID: 1546081

Formula: - C56 H48 Br6 Cr2 N6 O14 Zn3 -
Comments: Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios [MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands. Chem. Sci. (2017)
Space group: P 32 2 1
Cell volume: 5829.1
Cell parameters: 13.2429; 13.2429; 38.38; 90; 90; 120;

COD ID: 1546082

Formula: - C54 H48 Cl6 Co3 Fe2 N6 O12 -
Comments: Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios [MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands. Chem. Sci. (2017)
Space group: P 32 2 1
Cell volume: 5518.5
Cell parameters: 12.7708; 12.7708; 39.0709; 90; 90; 120;

COD ID: 1546099

Formula: - C20 H36 O11 -
Comments: Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia. Organic letters 19(11) (2017) 3029-3032
Space group: P 32 2 1
Cell volume: 10766.6
Cell parameters: 17.1874; 17.1874; 42.085; 90; 90; 120;

COD ID: 1551357
CIF file	Formula: - C24 H32 F12 Mn N6 Sb2 - Comments: Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White Chemoselective methylene oxidation in aromatic molecules Nature Chemistry 11 (2019) 213-221 Space group: P 32 2 1 Cell volume: 2431.35 Cell parameters: 10.5506; 10.5506; 25.221; 90; 90; 120;

COD ID: 1552560

Formula: - C10 H13 F N2 O5 -
Comments: Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. Journal of medicinal chemistry 62(13) (2019) 6346-6362
Space group: P 32 2 1
Cell volume: 1658.97
Cell parameters: 6.6465; 6.6465; 43.3632; 90; 90; 120;

COD ID: 1553399

Formula: - C25 H28 O9 -
Comments: Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J. Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton. Journal of natural products 81(10) (2018) 2244-2250
Space group: P 32 2 1
Cell volume: 3531.4
Cell parameters: 11.686; 11.686; 29.8596; 90; 90; 120;

COD ID: 1554046

Formula: - C53 H47 N O6 -
Comments: Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry Unusual Chiroptical Properties of the Cryptophane-222 Skeleton. The journal of physical chemistry. B 120(49) (2016) 12650-12659
Space group: P 32 2 1
Cell volume: 3220
Cell parameters: 11.549; 11.549; 27.874; 90; 90; 120;

COD ID: 1555005
CIF file	Formula: - C28 H32 N4 O2 - Comments: Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E. Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines. Organic letters 17(9) (2015) 2254-2257 Space group: P 32 2 1 Cell volume: 3928.44 Cell parameters: 11.32263; 11.32263; 35.383; 90; 90; 120;

COD ID: 1555272

Formula: - C18 H12 O20 -
Comments: Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I. Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights Chemical Science 10(43) (2019) 9988
Space group: P 32 2 1
Cell volume: 4586.8
Cell parameters: 16.523; 16.523; 19.4; 90; 90; 120;

COD ID: 1556008
CIF file	Formula: - C29.5 H29 Cl N2 O3 S - Comments: Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters. Organic letters 19(3) (2017) 674-677 Space group: P 32 2 1 Cell volume: 4858.7 Cell parameters: 18.4813; 18.4813; 16.4257; 90; 90; 120;

COD ID: 1557233
CIF file	Formula: - S8 V7 - Comments: Bindi,; Zaccarini,; Ifandi,; Tsikouras,; Stanley,; Garuti,; Mauro, Grammatikopoulosite, NiVP, a New Phosphide from the Chromitite of the Othrys Ophiolite, Greece Minerals 10(2) (2020) 131 Space group: P 32 2 1 Cell volume: 674.3 Cell parameters: 6.689; 6.689; 17.403; 90; 90; 120;

COD ID: 1557744
CIF file	Formula: - S8 V7 - Comments: Bindi, Luca; Zaccarini, Federica; Bonazzi, Paola; Grammatikopoulos, Tassos; Tsikouras, Basilios; Stanley, Chris; Garuti, Giorgio Eliopoulosite, V7S8, A New Sulfide from the Podiform Chromitite of the Othrys Ophiolite, Greece Minerals 10(3) (2020) 245 Space group: P 32 2 1 Cell volume: 674.3 Cell parameters: 6.689; 6.689; 17.403; 90; 90; 120;

COD ID: 1559678

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 32 2 1
Cell volume: 2452
Cell parameters: 14.8922; 14.8922; 12.7663; 90; 90; 120;

COD ID: 1559680

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 32 2 1
Cell volume: 2482.56
Cell parameters: 15.0465; 15.0465; 12.6619; 90; 90; 120;

COD ID: 1560527
CIF file	Formula: - C40 H52 B20 - Comments: Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science 12(15) (2021) 5616-5620 Space group: P 32 2 1 Cell volume: 3264.1 Cell parameters: 11.3287; 11.3287; 29.3678; 90; 90; 120;

COD ID: 1561684
CIF file	Formula: - C27 H9 Co3 O18 - Comments: Yu, Xianglin; Toh, Yong Siang; Zhao, Jun; Nie, Lina; Ye, Kaiqi; Wang, Yue; Li, Dongsheng; Zhang, Qichun Surfactant-thermal method to prepare two new cobalt metal-organic frameworks Journal of Solid State Chemistry 232 (2015) 14-18 Space group: P 32 2 1 Cell volume: 3587.4 Cell parameters: 18.5696; 18.5696; 12.0128; 90; 90; 120;

COD ID: 1562010
CIF file	Formula: - C182.67 H102 O60 P3 Zr9 - Comments: Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions 231 (2021) 168-180 Space group: P 32 2 1 Cell volume: 86818 Cell parameters: 45.122; 45.122; 49.238; 90; 90; 120;

COD ID: 1564151
CIF file	Formula: - C52 H60 N4 O4 S2 Zn2 - Comments: Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines Inorganica Chimica Acta 511 (2020) 119767 Space group: P 32 2 1 Cell volume: 4021.67 Cell parameters: 11.5916; 11.5916; 34.5612; 90; 90; 120;

COD ID: 1564799

Formula: - C23 H33 Cl O5 -
Comments: Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry 64(18) (2021) 13918-13932
Space group: P 32 2 1
Cell volume: 3234.61
Cell parameters: 11.4588; 11.4588; 28.4455; 90; 90; 120;

COD ID: 1566004

Formula: - C32.5 H58.5 B1.5 Na O8 Tb -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 32 2 1
Cell volume: 5568.3
Cell parameters: 13.8128; 13.8128; 33.7; 90; 90; 120;

COD ID: 1566397
CIF file	Formula: - C42 H34 F12 Fe N14 P2 S4 - Comments: Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science (2022) Space group: P 32 2 1 Cell volume: 3738.7 Cell parameters: 14.8052; 14.8052; 19.695; 90; 90; 120;

COD ID: 1571164

Formula: - C6 H17 Br3 N2 O -
Comments: Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej Metal-free enantiomorphic perovskite [dabcoH2]2+[H3O]+Br- 3 and its one-dimensional polar polymorph. IUCrJ 9(Pt 5) (2022) 544-550
Space group: P 32 2 1
Cell volume: 1847.56
Cell parameters: 9.5838; 9.5838; 23.227; 90; 90; 120;

COD ID: 1571445
CIF file	Formula: - C2.571 H4.146 Cu0.143 N0.857 O - Comments: Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M.; Kumar, Jatish Engineering copper plasmonic chirality via ligand-induced dissolution for enantioselective recognition of amino acids Chemical Science (2024) Space group: P 32 2 1 Cell volume: 3293.5 Cell parameters: 10.9067; 10.9067; 31.97; 90; 90; 120;

COD ID: 2000936
CIF file Original IUCr paper	Formula: - C8 H16 N2 O4 - Comments: Rychlewska, U. Unusual conformation of (<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyltartramide (I) and its <i>O</i>,<i>O</i>'-dibenzoyl derivative (II) Acta Crystallographica Section C 48(5) (1992) 965-969 Space group: P 32 2 1 Cell volume: 824.47 Cell parameters: 9.437; 9.437; 10.69; 90; 90; 120;

COD ID: 2001920
CIF file Original IUCr paper	Formula: - C12 H30 O15 - Comments: Lee, C.-K.; Koh, L. L. Structure of β,β-trehalose Acta Crystallographica Section C 49(3) (1993) 621-624 Space group: P 32 2 1 Cell volume: 1421.2 Cell parameters: 8.789; 8.789; 21.245; 90; 90; 120;

COD ID: 2002039

Formula: - C14 H25 N O5 -
Comments: Gallagher, T.; Giles, M. E.; Mahon, M. F.; Molloy, K. C.; Hadley, M. S. Structure of 1,2,4-trideoxy-1,4-imino-3,5;6,7-di-O-isopropylidene-L-glycero-D-gluco-octitol: a key intermediate in the enantioselective synthesis of 8-epicastanospermine Acta Crystallographica Section C 49(1) (1993) 40-42
Space group: P 32 2 1
Cell volume: 2418.1
Cell parameters: 11.831; 11.831; 19.948; 90; 90; 120;

COD ID: 2002576
CIF file	Formula: - Hg O2 Sr - Comments: Soll, M; Mueller-Buschbaum, Hk Sr Hg O2: ein Oxomercurate mit Delafossitstruktur Journal of the Less-Common Metals 175 (1991) 295-299 Space group: P 32 2 1 Cell volume: 241.6 Cell parameters: 3.833; 3.833; 18.98999; 90; 90; 120;

COD ID: 2002733
CIF file	Formula: - Cr Hg3 O6 - Comments: Hansen, T; Mueller-Buschbaum, Hk; Walz, L Einkristallroentgenstrukturanalyse an Quecksilberchromat(VI): Hg3 O2 Cr O4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 50 (1995) 47-50 Space group: P 32 2 1 Cell volume: 441.9 Cell parameters: 7.137; 7.137; 10.017; 90; 90; 120;

COD ID: 2004102
CIF file Original IUCr paper	Formula: - Ce H2 Na O9 S2 - Comments: Blackburn, A. C.; Gerkin, R. E. Redetermination of Sodium Cerium(III) Sulfate Monohydrate, NaCe(SO~4~)~2~.H~2~O Acta Crystallographica Section C 51(11) (1995) 2215-2218 Space group: P 32 2 1 Cell volume: 551.46 Cell parameters: 7.019; 7.019; 12.925; 90; 90; 120;

COD ID: 2004545
CIF file Original IUCr paper	Formula: - C34 H28 O4 - Comments: Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Aalberg, L. 2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene Acta Crystallographica Section C 52(2) (1996) 379-381 Space group: P 32 2 1 Cell volume: 2020.4 Cell parameters: 9.691; 9.691; 24.841; 90; 90; 120;

COD ID: 2010041
CIF file Original IUCr paper	Formula: - C10 H8 F6 N4 - Comments: Abdul-Ghani, Mohamad; Beagley, Brian; Pritchard, Robin G.; Tipping, Anthony E. (<i>Z</i>,<i>Z</i>)-5-Anilino-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene-2-amine Acta Crystallographica Section C 50(9) (1994) 1492-1494 Space group: P 32 2 1 Cell volume: 1929.6 Cell parameters: 9.48; 9.48; 24.792; 90; 90; 120;

COD ID: 2013672

Formula: - C20 H30 N2 O3 S2 -
Comments: Jegorov, Alexandr; Horák, Zdeněk; Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana Pergolide mesylate form II Acta Crystallographica Section C 59(10) (2003) o575-o576
Space group: P 32 2 1
Cell volume: 3045.27
Cell parameters: 8.851; 8.851; 44.886; 90; 90; 120;

COD ID: 2015448

Formula: - C9 H12 N6 O4 -
Comments: Lin, Wen-Qing; Ming, Xin; Eickmeier, Henning; Seela, Frank 7-Deaza-2,8-diazaadenosine Acta Crystallographica Section C 62(7) (2006) o379-o381
Space group: P 32 2 1
Cell volume: 1690.3
Cell parameters: 9.7859; 9.7859; 20.3813; 90; 90; 120;

COD ID: 2017432

Formula: - C26 H33 N O3.5 S2 -
Comments: Goodreid, Jordan D.; Jennings, Michael C.; Tam, William Asymmetric ruthenium-catalysed [2+2] cycloadditions between bicyclic alkenes and chiral aryl-substituted acetylenic acyl camphorsultam alkynes Acta Crystallographica Section C 65(12) (2009) o649-o652
Space group: P 32 2 1
Cell volume: 3579.5
Cell parameters: 12.0797; 12.0797; 28.326; 90; 90; 120;

COD ID: 2018446

Formula: - C24 H52 Br N -
Comments: Kelland, Malcolm A.; Thompson, Amber L. Alkyl-chain disorder in tetraisohexylammonium bromide Acta Crystallographica Section C 68(4) (2012) o152-o155
Space group: P 32 2 1
Cell volume: 4166.31
Cell parameters: 15.12762; 15.12762; 21.0223; 90; 90; 120;

COD ID: 2018447

Formula: - C24 H52 Br N -
Comments: Kelland, Malcolm A.; Thompson, Amber L. Alkyl-chain disorder in tetraisohexylammonium bromide Acta Crystallographica Section C 68(4) (2012) o152-o155
Space group: P 32 2 1
Cell volume: 4397.04
Cell parameters: 15.4995; 15.4995; 21.1346; 90; 90; 120;

COD ID: 2018448

Formula: - C24 H52 Br N -
Comments: Kelland, Malcolm A.; Thompson, Amber L. Alkyl-chain disorder in tetraisohexylammonium bromide Acta Crystallographica Section C 68(4) (2012) o152-o155
Space group: P 32 2 1
Cell volume: 4151.32
Cell parameters: 15.1327; 15.1327; 20.9326; 90; 90; 120;

COD ID: 2020169
CIF file	Formula: - Ca Cd H8 N4 O12 - Comments: Aoyama, T.; Saito, Y.; Ohba, S. Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate. Acta Crystallographica C (39,1983-) 44 (1988) 1703-1707 Space group: P 32 2 1 Cell volume: 897.041 Cell parameters: 7.5003; 7.5003; 18.413; 90; 90; 120;

COD ID: 2021065

Formula: - C15 H14 O -
Comments: Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas Prevalent polymorphism in benzophenones Acta Crystallographica Section C 74(4) (2018)
Space group: P 32 2 1
Cell volume: 868.8
Cell parameters: 9.4796; 9.4796; 11.164; 90; 90; 120;

COD ID: 2022158

Formula: - C22 H18 Cu N4 O2 S2 -
Comments: Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study Acta Crystallographica Section C 76(7) (2020)
Space group: P 32 2 1
Cell volume: 1650.4
Cell parameters: 9.794; 9.794; 19.8673; 90; 90; 120;

COD ID: 2100188
CIF file Original IUCr paper	Formula: - O2 Si - Comments: Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B 61(2) (2005) 129-132 Space group: P 32 2 1 Cell volume: 113.06 Cell parameters: 4.91427; 4.91427; 5.4058; 90; 90; 120;

COD ID: 2102861

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: cis and trans isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P 32 2 1
Cell volume: 969.49
Cell parameters: 10.183; 10.183; 10.796; 90; 90; 120;

COD ID: 2102862

Formula: - C6 H12 O2 -
Comments: Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Solid-state compounds of stereoisomers: cis and trans isomers of 1,2-cyclohexanediol and 2,3-tetralindiol Acta Crystallographica Section B 63(3) (2007) 433-447
Space group: P 32 2 1
Cell volume: 988.51
Cell parameters: 10.229; 10.229; 10.909; 90; 90; 120;

COD ID: 2103347
CIF file Original IUCr paper	Formula: - C32 H46 O8 S - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 2437 Cell parameters: 9.971; 9.971; 28.304; 90; 90; 120;

COD ID: 2103349
CIF file Original IUCr paper	Formula: - C18 H18 N2 Ni2 O9 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 1403.93 Cell parameters: 12.7701; 12.7701; 9.9409; 90; 90; 120;

COD ID: 2103357
CIF file Original IUCr paper	Formula: - C2 H3 N2 P - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 317.381 Cell parameters: 8.154; 8.154; 5.512; 90; 90; 120;

COD ID: 2103358
CIF file Original IUCr paper	Formula: - C2 H3 As N2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 332.452 Cell parameters: 8.1218; 8.1218; 5.8196; 90; 90; 120;

COD ID: 2103361
CIF file Original IUCr paper	Formula: - C5 H13 B N2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 512.116 Cell parameters: 7.373; 7.373; 10.878; 90; 90; 120;

COD ID: 2103364
CIF file Original IUCr paper	Formula: - C52 H58 F12 O12 P2 Rh2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 4328.02 Cell parameters: 12.9751; 12.9751; 29.685; 90; 90; 120;

COD ID: 2103367
CIF file Original IUCr paper	Formula: - C34 H54 N2 Ni2 Si4 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 3164.74 Cell parameters: 13.178; 13.178; 21.043; 90; 90; 120;

COD ID: 2103370
CIF file Original IUCr paper	Formula: - C17 H24 N4 O3 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 1279.91 Cell parameters: 7.8645; 7.8645; 23.895; 90; 90; 120;

COD ID: 2103372
CIF file Original IUCr paper	Formula: - C10 H7 Cr2 Cu N2 O10 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 1331.47 Cell parameters: 8.986; 8.986; 19.04; 90; 90; 120;

COD ID: 2103374
CIF file Original IUCr paper	Formula: - C216 H180 Hg32 Se50 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 23771 Cell parameters: 22.753; 22.753; 53.02; 90; 90; 120;

COD ID: 2103375
CIF file Original IUCr paper	Formula: - C22 H28 I O2 P2 V - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 5821.95 Cell parameters: 14.305; 14.305; 32.852; 90; 90; 120;

COD ID: 2103376
CIF file Original IUCr paper	Formula: - C56 H42 N4 O9 Zn2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 3723.41 Cell parameters: 9.865; 9.865; 44.179; 90; 90; 120;

COD ID: 2103377
CIF file Original IUCr paper	Formula: - C37 H44 Cl Fe2 N2 O6 Pd2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 2869.33 Cell parameters: 11.026; 11.026; 27.253; 90; 90; 120;

COD ID: 2103381
CIF file Original IUCr paper	Formula: - C30.5 H47 O9.5 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 4684.11 Cell parameters: 12.115; 12.115; 36.851; 90; 90; 120;

COD ID: 2103384
CIF file Original IUCr paper	Formula: - C50 H46 N5 O21 P4 Pr - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 32 2 1 Cell volume: 8563.87 Cell parameters: 15.71; 15.71; 40.067; 90; 90; 120;

COD ID: 2104300

Formula: - C44 H30 N2 O8 -
Comments: Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek Probing the shapes of chiral bis-(o-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods Acta Crystallographica Section B 65(1) (2009) 86-95
Space group: P 32 2 1
Cell volume: 5255.1
Cell parameters: 11.873; 11.873; 43.046; 90; 90; 120;

COD ID: 2104972

Formula: - Ca H1.25 O4.625 Se -
Comments: Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure Acta Crystallographica Section B 67(4) (2011) 293-301
Space group: P 32 2 1
Cell volume: 2333.67
Cell parameters: 14.1681; 14.1681; 13.4241; 90; 90; 120;

COD ID: 2104973

Formula: - Ca H1.25 O4.625 Se -
Comments: Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure Acta Crystallographica Section B 67(4) (2011) 293-301
Space group: P 32 2 1
Cell volume: 2301.8
Cell parameters: 14.1035; 14.1035; 13.3622; 90; 90; 120;

COD ID: 2105041
CIF file Original IUCr paper	Formula: - Ca H1.25 O4.625 S - Comments: Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O Acta Crystallographica Section B 67(6) (2011) 467-475 Space group: P 32 2 1 Cell volume: 2118.7 Cell parameters: 13.869; 13.869; 12.7189; 90; 90; 120;

COD ID: 2106355
CIF file	Formula: - O2 Si - Comments: d'Amour, H.; Denner, W.; Schulz, H. Structure determination of alpha-quartz up to 6810exp8 Pa Acta Crystallographica B (24,1968-38,1982) 35 (1979) 550-555 Space group: P 32 2 1 Cell volume: 104.137 Cell parameters*: 4.765; 4.765; 5.296; 90; 90; 120;

COD ID: 2108369
CIF file HKL data	Formula: - H4 N2 O3 W - Comments: Giovannelli, F.; Mathieu, C.; Fritsch, K.; Adil, K.; Goutenoire, F.; Habicht, K.; Delorme, F. Room-temperature synthesis of a new stable (N~2~H~4~)WO~3~ compound: a route for hydrazine trapping Acta Crystallographica Section B 75(2) (2019) Space group: P 32 2 1 Cell volume: 268.871 Cell parameters: 5.79842; 5.79842; 9.2341; 90; 90; 120;

COD ID: 2201499

Formula: - C10 H18 N2 O5 S2 -
Comments: Shi, Yun-Mei; Zhang, Wen-Qin S,S'-(But-2-yne-1,4-diyl)bis(L-cysteine) monohydrate Acta Crystallographica Section E 58(12) (2002) o1455-o1457
Space group: P 32 2 1
Cell volume: 1030.9
Cell parameters: 5.3906; 5.3906; 40.964; 90; 90; 120;

COD ID: 2202292

Formula: - Cl3 Cu H13 O18 -
Comments: Bramsen, Fabienne; Bond, Andrew D.; McKenzie, Christine J. Hydronium pentaaquacopper(II) triperchlorate Acta Crystallographica Section E 59(7) (2003) i105-i106
Space group: P 32 2 1
Cell volume: 1177.83
Cell parameters: 10.1659; 10.1659; 13.1601; 90; 90; 120;

COD ID: 2205391

Formula: - C10 H12 N4 O6 S2 -
Comments: Liu, Bing-Xin; Xu, Duan-Jun 2,2'-Diamino-4,4'-bi-1,3-thiazolium (2R,3R)-tartrate Acta Crystallographica Section E 61(3) (2005) o753-o755
Space group: P 32 2 1
Cell volume: 1977.4
Cell parameters: 11.0122; 11.0122; 18.8285; 90; 90; 120;

COD ID: 2209268

Formula: - C32 H24 Br4 N4 O5 S2 Zn -
Comments: Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris Aquabis[N-(5,7-dibromoquinolin-8-yl)-4-methylbenzenesulfonamidato-κ^2^N,N']zinc(II) Acta Crystallographica Section E 62(6) (2006) m1258-m1259
Space group: P 32 2 1
Cell volume: 2654.5
Cell parameters: 15.8969; 15.8969; 12.1289; 90; 90; 120;

COD ID: 2211922

Formula: - C12 H12 N12 Ni O5 -
Comments: Yun Ling; Hong-Yan Gao; Lei Zhang [Bis(triazol-1-yl)acetato]nickel(II) monohydrate Acta Crystallographica Section E 63(1) (2007) m193-m195
Space group: P 32 2 1
Cell volume: 1627.6
Cell parameters: 12.406; 12.406; 12.211; 90; 90; 120;

COD ID: 2213623

Formula: - C18 H9 I3 S3 -
Comments: Zhu, Chen-Hao; Li, Wei-Jie; Kong, Lin 1,3,5-Tris(5-iodothiophen-2-yl)benzene Acta Crystallographica Section E 63(5) (2007) o2761-o2761
Space group: P 32 2 1
Cell volume: 3015
Cell parameters: 12.969; 12.969; 20.7; 90; 90; 120;

COD ID: 2217706

Formula: - C17 H28 O5 -
Comments: Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V. A second polymorph of β-arteether Acta Crystallographica Section E 64(3) (2008) o585-o586
Space group: P 32 2 1
Cell volume: 2491.8
Cell parameters: 10.0253; 10.0253; 28.628; 90; 90; 120;

COD ID: 2219249

Formula: - C36 H28 P2 Pd S2 -
Comments: Fierro-Arias, Jaime; Morales-Morales, David; Hernández-Ortega, Simón cis-Bis[2-(diphenylphosphino)benzenethiolato-κ^2^P,S]palladium(II) Acta Crystallographica Section E 64(9) (2008) m1196
Space group: P 32 2 1
Cell volume: 2255.2
Cell parameters: 9.306; 9.306; 30.069; 90; 90; 120;

COD ID: 2222535

Formula: - C6 H21 Br2 Mg N3 -
Comments: Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael Dibromidotris(dimethylamine)magnesium(II) Acta Crystallographica Section E 65(8) (2009) m888
Space group: P 32 2 1
Cell volume: 1035.49
Cell parameters: 9.0951; 9.0951; 14.4544; 90; 90; 120;

COD ID: 2236145

Formula: - C24 H26 O2 Si2 -
Comments: Sparrow, Christopher R.; Fronczek, Frank R.; Watkins, Steven F. 1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione Acta Crystallographica Section E 68(9) (2012) o2809
Space group: P 32 2 1
Cell volume: 1752.13
Cell parameters: 9.2241; 9.2241; 23.7787; 90; 90; 120;

COD ID: 2240843

Formula: - Pd6.69 Sn4.31 -
Comments: Klein, Wilhelm; Jin, Hanpeng; Hlukhyy, Viktor; Fässler, Thomas F. `Pd~20~Sn~13~' revisited: crystal structure of Pd~6.69~Sn~4.31~ Acta Crystallographica Section E 71(7) (2015) 807-809
Space group: P 32 2 1
Cell volume: 1127.18
Cell parameters: 8.77574; 8.77574; 16.9004; 90; 90; 120;

COD ID: 2240849

Formula: - C5 N6 -
Comments: Parrish, Damon A.; Kramer, Stephanie; Windler, G. Kenneth; Chavez, David E.; Leonard, Philip W. Crystal structure of 2-diazoimidazole-4,5-dicarbonitrile Acta Crystallographica Section E 71(7) (2015) o491
Space group: P 32 2 1
Cell volume: 944.73
Cell parameters: 8.0746; 8.0746; 16.7315; 90; 90; 120;

COD ID: 2300366

Formula: - Ge0.97 O2 Si0.03 -
Comments: Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~x}Si~x~O~2~ (0 {łeq} x < 0.2) flux-grown single crystals Journal of Applied Crystallography 45(2) (2012) 272-278
Space group: P 32 2 1
Cell volume: 121.149
Cell parameters: 4.983; 4.983; 5.6339; 90; 90; 120;

COD ID: 2300368

Formula: - Ge0.9 O2 Si0.1 -
Comments: Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~x}Si~x~O~2~ (0 {łeq} x < 0.2) flux-grown single crystals Journal of Applied Crystallography 45(2) (2012) 272-278
Space group: P 32 2 1
Cell volume: 120.163
Cell parameters: 4.97517; 4.97517; 5.60565; 90; 90; 120;

COD ID: 2300370

Formula: - O2 Si -
Comments: Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~x}Si~x~O~2~ (0 {łeq} x < 0.2) flux-grown single crystals Journal of Applied Crystallography 45(2) (2012) 272-278
Space group: P 32 2 1
Cell volume: 113.211
Cell parameters: 4.91636; 4.91636; 5.4084; 90; 90; 120;

COD ID: 3000027

CIF file is on hold until 2014-04-19

Formula: - B4 Dy Fe3 O12 -
Comments: Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4 To be published ()
Space group: P 32 2 1
Cell volume: 593.5
Cell parameters: 9.5298; 9.5298; 7.5461; 90; 90; 120;

COD ID: 3000028

CIF file is on hold until 2014-04-19

Formula: - B4 Dy Fe3 O12 -
Comments: Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4 To be published ()
Space group: P 32 2 1
Cell volume: 594.42
Cell parameters: 9.5337; 9.5337; 7.5516; 90; 90; 120;

COD ID: 3000029

CIF file is on hold until 2014-04-19

Formula: - B4 Dy Fe3 O12 -
Comments: Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4 To be published ()
Space group: P 32 2 1
Cell volume: 593.18
Cell parameters: 9.5266; 9.5266; 7.5471; 90; 90; 120;

COD ID: 3000031

CIF file is on hold until 2014-04-19

Formula: - B4 Dy Fe3 O12 -
Comments: Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4 To be published ()
Space group: P 32 2 1
Cell volume: 593.28
Cell parameters: 9.528; 9.528; 7.5462; 90; 90; 120;

COD ID: 4000500

Formula: - Gd H2 Na O9 S2 -
Comments: Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates Chemistry of Materials 17(10) (2005) 2701-2706
Space group: P 32 2 1
Cell volume: 523.73
Cell parameters: 6.8816; 6.8816; 12.7702; 90; 90; 120;

COD ID: 4001621
CIF file	Formula: - C73 H57 Br2 Cl9 Cu2 N2 P4 - Comments: Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine Chemistry of Materials 24(3) (2012) 480 Space group: P 32 2 1 Cell volume: 6340.5 Cell parameters: 18.5561; 18.5561; 21.2628; 90; 90; 120;

COD ID: 4001622
CIF file	Formula: - C37 H29 Cl7 Cu N P2 - Comments: Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine Chemistry of Materials 24(3) (2012) 480 Space group: P 32 2 1 Cell volume: 6258 Cell parameters: 18.41; 18.41; 21.321; 90; 90; 120;

COD ID: 4001747
CIF file	Formula: - B O5 P Sr - Comments: Zhang Guochun; Du Chenxia; Pan Shilie; Chen Chuangyan; Fu Peizhen; Wu Xicheng; Li Zhihua Growth, structure and properties of single crystals of Sr B P O5 Chemistry of Materials (1,1989-) 15 (2003) 2218-2221 Space group: P 32 2 1 Cell volume: 282.03 Cell parameters: 6.885; 6.885; 6.87; 90; 90; 120;

COD ID: 4003222

Formula: - C7 H D11.14 Fe O3 -
Comments: Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R. Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn) Chemistry of Materials 28(4) (2016) 1128
Space group: P 32 2 1
Cell volume: 2840.9
Cell parameters: 21.847; 21.847; 6.8729; 90; 90; 120;

COD ID: 4003223

Formula: - C7 H D3.74 Fe O3 -
Comments: Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R. Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn) Chemistry of Materials 28(4) (2016) 1128
Space group: P 32 2 1
Cell volume: 2829.1
Cell parameters: 21.831; 21.831; 6.8543; 90; 90; 120;

COD ID: 4003224

Formula: - C7 H D7.64 Fe O3 -
Comments: Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R. Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn) Chemistry of Materials 28(4) (2016) 1128
Space group: P 32 2 1
Cell volume: 2830.4
Cell parameters: 21.813; 21.813; 6.8688; 90; 90; 120;

COD ID: 4003225

Formula: - C24 H28 Co2 N2 O8 -
Comments: Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R. Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn) Chemistry of Materials 28(4) (2016) 1128
Space group: P 32 2 1
Cell volume: 2791.93
Cell parameters: 21.7036; 21.7036; 6.844; 90; 90; 120;

COD ID: 4003226

Formula: - C7 H0.98 D2.02 Fe O3 -
Comments: Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R. Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn) Chemistry of Materials 28(4) (2016) 1128
Space group: P 32 2 1
Cell volume: 2816.6
Cell parameters: 21.848; 21.848; 6.8136; 90; 90; 120;

COD ID: 4003227

Formula: - C7 H D5.2 Fe O3 -
Comments: Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R. Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn) Chemistry of Materials 28(4) (2016) 1128
Space group: P 32 2 1
Cell volume: 2833.2
Cell parameters: 21.823; 21.823; 6.8695; 90; 90; 120;

COD ID: 4020021
CIF file	Formula: - C40.5 H27 Cl O2 - Comments: Matzger, Adam J.; Price, Christopher P. Journal of Organic Chemistry 70 (2005) 1-6 Space group: P 32 2 1 Cell volume: 4525 Cell parameters: 11.422; 11.422; 40.05; 90; 90; 120;

COD ID: 4020598

Formula: - C17 H21 N O5 S -
Comments: José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes Journal of Organic Chemistry 70 (2005) 8825-8834
Space group: P 32 2 1
Cell volume: 2647.4
Cell parameters: 10.2987; 10.2987; 28.821; 90; 90; 120;

COD ID: 4022121
CIF file	Formula: - C156 H174 Br6 N12 O24 - Comments: Ho Yong Lee; Dohyun Moon; Myoung Soo Lah; Jong-In Hong Triangular Assembly Through Charged Hydrogen Bonds in Polar Solvent Journal of Organic Chemistry 71 (2006) 9225-9228 Space group: P 32 2 1 Cell volume: 32676.3 Cell parameters: 34.775; 34.775; 31.201; 90; 90; 120;

COD ID: 4023103
CIF file	Formula: - C13 H22 O3 - Comments: Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin Journal of Organic Chemistry 72 (2007) 9722-9731 Space group: P 32 2 1 Cell volume: 2047.9 Cell parameters: 9.8192; 9.8192; 24.526; 90; 90; 120;

COD ID: 4026234
CIF file	Formula: - C30 H28 N2 O4 S2 - Comments: Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm Synthesis and Conformation of Chiral Biheteroaryls Journal of Organic Chemistry 76 (2011) 3222-3230 Space group: P 32 2 1 Cell volume: 1887.72 Cell parameters: 9.1735; 9.1735; 25.9022; 90; 90; 120;

COD ID: 4026236
CIF file	Formula: - C34 H36 N2 O4 S2 - Comments: Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm Synthesis and Conformation of Chiral Biheteroaryls Journal of Organic Chemistry 76 (2011) 3222-3230 Space group: P 32 2 1 Cell volume: 4726.7 Cell parameters: 10.7373; 10.7373; 47.341; 90; 90; 120;

COD ID: 4027650
CIF file	Formula: - C29 H44 N6 O7.5 - Comments: Sujeewa Ranatunga; Chih-Hang Anthony Tang; Chih-Chi Andrew Hu; Juan R. Del Valle Total Synthesis and Structural Revision of Lucentamycin A Journal of Organic Chemistry 77 (2012) 9859-9864 Space group: P 32 2 1 Cell volume: 4914.58 Cell parameters: 13.6137; 13.6137; 30.6199; 90; 90; 120;

COD ID: 4028386
CIF file	Formula: - C21 H19 Br2 N O6 - Comments: Zhen-Xin Jia; Yong-Chun Luo; Xi-Na Cheng; Peng-Fei Xu; Yu-Cheng Gu Organocatalyzed Michael-Michael Cascade Reaction: Asymmetric Synthesis of Polysubstituted Chromans Journal of Organic Chemistry 78 (2013) 6488-6494 Space group: P 32 2 1 Cell volume: 4201.5 Cell parameters: 18.5929; 18.5929; 14.0338; 90; 90; 120;

COD ID: 4028820
CIF file HKL data	Formula: - C28 H36 N2 O3 - Comments: Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones Journal of Organic Chemistry 78 (2013) 12243-12250 Space group: P 32 2 1 Cell volume: 12605.7 Cell parameters: 17.3834; 17.3834; 48.1688; 90; 90; 120;

COD ID: 4029419

Formula: - C31 H28 Cl N3 O2 -
Comments: Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles. The Journal of organic chemistry 79(10) (2014) 4635-4643
Space group: P 32 2 1
Cell volume: 4433.1
Cell parameters: 14.5913; 14.5913; 24.0429; 90; 90; 120;

COD ID: 4031635

Formula: - Cr Cs2 N5 O15 -
Comments: Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I. Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6] Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 47 (2002) 1845-1852
Space group: P 32 2 1
Cell volume: 1051.15
Cell parameters: 11.062; 11.062; 9.919; 90; 90; 120;

COD ID: 4034127

Formula: - C24 H33 Cl2 O P Pd -
Comments: Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling. The Journal of organic chemistry 84(13) (2019) 8423-8439
Space group: P 32 2 1
Cell volume: 4110.8
Cell parameters: 15.7436; 15.7436; 19.151; 90; 90; 120;

COD ID: 4034506

Formula: - C54 H76 O4 S2 -
Comments: Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products. The Journal of organic chemistry 84(18) (2019) 11572-11580
Space group: P 32 2 1
Cell volume: 3744.38
Cell parameters: 13.0211; 13.0211; 25.5008; 90; 90; 120;

COD ID: 4035112

Formula: - C16 H18 O3 -
Comments: Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R. Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation. The Journal of organic chemistry 83(17) (2018) 10070-10079
Space group: P 32 2 1
Cell volume: 1021.64
Cell parameters: 11.3565; 11.3565; 9.147; 90; 90; 120;

COD ID: 4035124

Formula: - C68 H24 O8 -
Comments: Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi Octaalkoxyfullerenes: Widely LUMO-Tunable C2 v-Symmetric Fullerene Derivatives. The Journal of organic chemistry 83(17) (2018) 10655-10659
Space group: P 32 2 1
Cell volume: 2876.26
Cell parameters: 11.8424; 11.8424; 23.682; 90; 90; 120;

COD ID: 4035282

Formula: - C28 H33 N O7 -
Comments: Zhou, Ming; Zhou, Jia; Liu, Junjun; Liang, Jing-Jing; Peng, Xiao-Gang; Duan, Fang-Fang; Ruan, Han-Li Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albus. The Journal of organic chemistry 83(19) (2018) 12122-12128
Space group: P 32 2 1
Cell volume: 4435.12
Cell parameters: 20.0368; 20.0368; 12.7561; 90; 90; 120;

COD ID: 4036164

Formula: - C12 H21 N O3 S -
Comments: Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V. Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold. The Journal of organic chemistry 80(8) (2015) 3974-3981
Space group: P 32 2 1
Cell volume: 2085.93
Cell parameters: 9.1098; 9.1098; 29.0236; 90; 90; 120;

COD ID: 4062405
CIF file	Formula: - C41 H76 N10 O Zr2 - Comments: Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates) Organometallics 22(23) (2003) 4818-4824 Space group: P 32 2 1 Cell volume: 3637.01 Cell parameters: 13.3607; 13.3607; 23.5264; 90; 90; 120;

COD ID: 4065681
CIF file	Formula: - C50 H72 I4 N8 Zn4 - Comments: Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes Organometallics 29(9) (2010) 2093 Space group: P 32 2 1 Cell volume: 4481.5 Cell parameters: 12.208; 12.208; 34.722; 90; 90; 120;

COD ID: 4069862
CIF file	Formula: - C26 H52 Br N2 O P2 Re - Comments: Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Frech, Christian M.; Berke, Heinz Development of Rhenium Catalysts for Amine Borane Dehydrocoupling and Transfer Hydrogenation of Olefins Organometallics 28(18) (2009) 5493 Space group: P 32 2 1 Cell volume: 2367.54 Cell parameters: 11.225; 11.225; 21.6967; 90; 90; 120;

COD ID: 4073277
CIF file	Formula: - C44 H50 Cl2 P2 Ru2 - Comments: Miyake, Yoshihiro; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki Synthesis and Reactivity of Diphosphine-Bridged Diruthenium Complexes Organometallics 26(14) (2007) 3611 Space group: P 32 2 1 Cell volume: 3424.3 Cell parameters: 18.011; 18.011; 12.1888; 90; 90; 120;

COD ID: 4073797

Formula: - C54 H64 Cl2 N4 O Rh2 -
Comments: Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Mono- and Bimetallic Rhodium(I) Complexes Supported by NewC2-Symmetric Bis-N-heterocyclic Carbene Ligands: Metalation via CC Bond Cleavage under Mild Conditions Organometallics 26(22) (2007) 5267
Space group: P 32 2 1
Cell volume: 3527.3
Cell parameters: 11.9962; 11.9962; 28.3024; 90; 90; 120;

COD ID: 4078639
CIF file	Formula: - C84 H80 F12 O5 P6 Pd2 S2 - Comments: Suess, Daniel L. M.; Peters, Jonas C. Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes Organometallics 31(15) (2012) 5213 Space group: P 32 2 1 Cell volume: 5867.3 Cell parameters: 14.9538; 14.9538; 30.2975; 90; 90; 120;

COD ID: 4079829

Formula: - C20 H12 F2 O2 -
Comments: Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes Organometallics 32(2) (2013) 473
Space group: P 32 2 1
Cell volume: 2300.31
Cell parameters: 10.68954; 10.68954; 23.2454; 90; 90; 120;

COD ID: 4081364

Formula: - C14 H22 F3 N3 O4 Pd S -
Comments: Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G. Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones Organometallics 32(16) (2013) 4664
Space group: P 32 2 1
Cell volume: 2884.3
Cell parameters: 11.60504; 11.60504; 24.7296; 90; 90; 120;

COD ID: 4081506

Formula: - C68 H62 F6 Fe N6 O18 Pd2 S4 -
Comments: Weber, Manuel; Klein, Johannes E. M. N.; Miehlich, Burkhard; Frey, Wolfgang; Peters, René Monomeric Ferrocene Bis-Imidazoline Bis-Palladacycles: Variation of Pd‒Pd Distances by an Interplay of Metallophilic, Dispersive, and Coulombic Interactions Organometallics 32(20) (2013) 5810
Space group: P 32 2 1
Cell volume: 5441.7
Cell parameters: 14.211; 14.211; 31.1139; 90; 90; 120;

COD ID: 4085003

Formula: - C52 H72 Cl4 N2 O2 P2 Pd2 -
Comments: Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P. Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent Organometallics (2014) 141201152116001
Space group: P 32 2 1
Cell volume: 4838.6
Cell parameters: 20.139; 20.139; 13.7756; 90; 90; 120;

COD ID: 4101246

Formula: - C846 H1919 N262 O491 S8.83 -
Comments: Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis. Journal of the American Chemical Society 128(28) (2006) 9086-9102
Space group: P 32 2 1
Cell volume: 296844
Cell parameters: 65.68; 65.68; 79.46; 90; 90; 120;

COD ID: 4101247

Formula: - C846 H2027 B N262 O581 S9.5 -
Comments: Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis. Journal of the American Chemical Society 128(28) (2006) 9086-9102
Space group: P 32 2 1
Cell volume: 298004
Cell parameters: 65.77; 65.77; 79.55; 90; 90; 120;

COD ID: 4101427

Formula: - C319.5 H235 Au10 Cl15 F30 N12 O20 P10 -
Comments: Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer. Journal of the American Chemical Society 128(48) (2006) 15370-15371
Space group: P 32 2 1
Cell volume: 57294
Cell parameters: 36.405; 36.405; 49.917; 90; 90; 120;

COD ID: 4101631
CIF file	Formula: - C62 H135 Fe0.5 Mo9 N5.5 O30 - Comments: Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates. Journal of the American Chemical Society 132(1) (2010) 14-15 Space group: P 32 2 1 Cell volume: 14212 Cell parameters: 18.286; 18.286; 49.079; 90; 90; 120;

COD ID: 4104427
CIF file	Formula: - C30 H51 Au2 Cl12 P2 - Comments: Thomas S. Teets; Daniel G. Nocera Halogen Photoreductive Elimination from Gold(III) Centers Journal of the American Chemical Society 131 (2009) 7411-7420 Space group: P 32 2 1 Cell volume: 6650.2 Cell parameters: 15.787; 15.787; 30.811; 90; 90; 120;

COD ID: 4105991
CIF file	Formula: - C14 H25 B N O P - Comments: Thierry León; Antoni Riera; Xavier Verdaguer Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines Journal of the American Chemical Society 133 (2011) 5740-5743 Space group: P 32 2 1 Cell volume: 4688.7 Cell parameters: 12.7622; 12.7622; 33.2409; 90; 90; 120;

COD ID: 4106631
CIF file	Formula: - C47 H68 O2 Th - Comments: Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies Journal of the American Chemical Society 133 (2011) 13183-13196 Space group: P 32 2 1 Cell volume: 3094.5 Cell parameters: 17.0548; 17.0548; 12.2849; 90; 90; 120;

COD ID: 4106838
CIF file	Formula: - C32 H34 N2 O7 S - Comments: Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes Journal of the American Chemical Society 133 (2011) 15212-15218 Space group: P 32 2 1 Cell volume: 4518.2 Cell parameters: 11.9335; 11.9335; 36.635; 90; 90; 120;

COD ID: 4108891

Formula: - C24 H44 In N O10 -
Comments: Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials Journal of the American Chemical Society 130 (2008) 17246-17247
Space group: P 32 2 1
Cell volume: 2541.93
Cell parameters: 12.9913; 12.9913; 17.3911; 90; 90; 120;

COD ID: 4108918

Formula: - C42.75 H70.13 Lu N13.88 O12.75 -
Comments: Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle Journal of the American Chemical Society 130 (2008) 17761-17773
Space group: P 32 2 1
Cell volume: 7566
Cell parameters: 14.982; 14.982; 38.92; 90; 90; 120;

COD ID: 4109408

Formula: - C108 H96 Cr2 Fe3 N24 -
Comments: Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters Journal of the American Chemical Society 129 (2007) 6104-6116
Space group: P 32 2 1
Cell volume: 10820.8
Cell parameters: 24.8535; 24.8535; 20.228; 90; 90; 120;

COD ID: 4109771

Formula: - C30 H36 O6 -
Comments: Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed Journal of the American Chemical Society 129 (2007) 9846-9847
Space group: P 32 2 1
Cell volume: 1887.8
Cell parameters: 14.1676; 14.1676; 10.8602; 90; 90; 120;

COD ID: 4111325

Formula: - C20 H20 Cl2 O Zr2 -
Comments: Jared T. Spletstoser; Jonathan M. White; Ashok Rao Tunoori; Gunda I. Georg Mild and Selective Hydrozirconation of Amides to Aldehydes Using Cp2Zr(H)Cl: Scope and Mechanistic Insight Journal of the American Chemical Society 129 (2007) 3408-3419
Space group: P 32 2 1
Cell volume: 1472.19
Cell parameters: 7.8384; 7.8384; 27.668; 90; 90; 120;

COD ID: 4111616

Formula: - C99 H114 N8 O15 P2 -
Comments: Thomas P. Clark; Clark R. Landis; Susan L. Freed; Jerzy Klosin; Khalil A. Abboud Highly Active, Regioselective, and Enantioselective Hydroformylation with Rh Catalysts Ligated by Bis-3,4-diazaphospholanes Journal of the American Chemical Society 127 (2005) 5040-5042
Space group: P 32 2 1
Cell volume: 6347.3
Cell parameters: 18.4724; 18.4724; 21.479; 90; 90; 120;

COD ID: 4111892
CIF file	Formula: - C158 H138 Cd17 N4 S32 - Comments: Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng Crystalline Superlattices from Single-Sized Quantum Dots Journal of the American Chemical Society 127 (2005) 11963-11965 Space group: P 32 2 1 Cell volume: 14566 Cell parameters: 19.172; 19.172; 45.758; 90; 90; 120;

COD ID: 4112136

Formula: - C53.33 H55.33 Cl4 Cu2 Fe2 P2 S2 -
Comments: Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines Journal of the American Chemical Society 126 (2004) 456-457
Space group: P 32 2 1
Cell volume: 4080.56
Cell parameters: 17.7079; 17.7079; 15.0264; 90; 90; 120;

COD ID: 4112613
CIF file	Formula: - C16 H42 Cl2 Co N4 O14 - Comments: Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex Journal of the American Chemical Society 126 (2004) 6524-6525 Space group: P 32 2 1 Cell volume: 2206.46 Cell parameters: 8.724; 8.724; 33.476; 90; 90; 120;

COD ID: 4113253
CIF file	Formula: - C53 H56 B2 N2 O9 - Comments: Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James An Enantioselective Fluorescent Sensor for Sugar Acids Journal of the American Chemical Society 126 (2004) 16179-16186 Space group: P 32 2 1 Cell volume: 9872.5 Cell parameters: 19.4347; 19.4347; 30.1815; 90; 90; 120;

COD ID: 4114550

Formula: - C25 H37 N3 O6 -
Comments: Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin Journal of the American Chemical Society 125 (2003) 16243-16260
Space group: P 32 2 1
Cell volume: 4251.35
Cell parameters: 15.0005; 15.0005; 21.8165; 90; 90; 120;

COD ID: 4115591
CIF file	Formula: - C45 H66.5 Cu5 La N12.5 O26 - Comments: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions Journal of the American Chemical Society 123 (2001) 6211-6212 Space group: P 32 2 1 Cell volume: 9772.24 Cell parameters: 15.2671; 15.2671; 48.4117; 90; 90; 120;

COD ID: 4117002
CIF file	Formula: - C116 H92 Br2 Cl4 O4 - Comments: Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons Journal of the American Chemical Society 119 (1997) 7291-7302 Space group: P 32 2 1 Cell volume: 7069.4 Cell parameters: 17.493; 17.493; 26.676; 90; 90; 120;

COD ID: 4117850

Formula: - C12 H14 N O4 Zn -
Comments: Thomas M. McDonald; Woo Ram Lee; Jarad A. Mason; Brian M. Wiers; Chang Seop Hong; Jeffrey R. Long Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc) Journal of the American Chemical Society 134 (2012) 7056-7065
Space group: P 32 2 1
Cell volume: 2800.7
Cell parameters: 21.698; 21.698; 6.869; 90; 90; 120;

COD ID: 4118361

Formula: - C24 H29 O9 P -
Comments: Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics Journal of the American Chemical Society 134 (2012) 12289-12301
Space group: P 32 2 1
Cell volume: 3838
Cell parameters: 10.583; 10.583; 39.571; 90; 90; 120;

COD ID: 4119731

Formula: - C9 H18 O6 -
Comments: Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley Polycarbonates Derived from Glucose via an Organocatalytic Approach Journal of the American Chemical Society 135 (2013) 6826-6829
Space group: P 32 2 1
Cell volume: 1755.44
Cell parameters: 9.4244; 9.4244; 22.8217; 90; 90; 120;

COD ID: 4121097

Formula: - C38 H34 F6 N3 O3 P S -
Comments: Marta G. Núñez; Alistair J. M. Farley; Darren J. Dixon Bifunctional Iminophosphorane Organocatalysts for Enantioselective Synthesis: Application to the Ketimine Nitro-Mannich Reaction Journal of the American Chemical Society 135 (2013) 16348-16351
Space group: P 32 2 1
Cell volume: 6463.88
Cell parameters: 22.8761; 22.8761; 14.2626; 90; 90; 120;

COD ID: 4122255
CIF file	Formula: - C20 H23 Fe N9 O4 - Comments: Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C. NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex. Journal of the American Chemical Society 136(29) (2014) 10230-10233 Space group: P 32 2 1 Cell volume: 1701.8 Cell parameters: 14.1554; 14.1554; 9.807; 90; 90; 120;

COD ID: 4125484

Formula: - C55 H60 O5 -
Comments: Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles. Journal of the American Chemical Society 139(8) (2017) 3106-3114
Space group: P 32 2 1
Cell volume: 3531.2
Cell parameters: 25.4957; 25.4957; 6.2727; 90; 90; 120;

COD ID: 4126285

Formula: - C20.48 H22.2 N3.24 O9.24 Zn2 -
Comments: Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R. Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks. Journal of the American Chemical Society (2017)
Space group: P 32 2 1
Cell volume: 2648.1
Cell parameters: 21.2594; 21.2594; 6.7655; 90; 90; 120;

COD ID: 4126286

Formula: - C27 H38 N4 O8 Zn2 -
Comments: Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R. Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks. Journal of the American Chemical Society (2017)
Space group: P 32 2 1
Cell volume: 2805.69
Cell parameters: 21.6857; 21.6857; 6.8891; 90; 90; 120;

COD ID: 4126288

Formula: - C23.89 H33.97 N3.3 O6.8 Zn2 -
Comments: Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R. Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks. Journal of the American Chemical Society (2017)
Space group: P 32 2 1
Cell volume: 2774
Cell parameters: 21.662; 21.662; 6.8262; 90; 90; 120;

COD ID: 4126401

Formula: - C21.89 H25.94 N2.85 O7.55 Zn2 -
Comments: Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R. A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism Journal of the American Chemical Society (2017)
Space group: P 32 2 1
Cell volume: 2755.9
Cell parameters: 21.653; 21.653; 6.7873; 90; 90; 120;

COD ID: 4126641

Formula: - C28 H34 N4 O10 Zn2 -
Comments: Martell, Jeffrey D.; Porter-Zasada, Leo B; Forse, Alexander C.; Siegelman, Rebecca L.; Gonzalez, Miguel I.; Oktawiec, Julia; Runcevski, Tomce; Xu, Jiawei; Srebro-Hooper, Monika; Milner, Phillip J.; Colwell, Kristen A.; Autschbach, Jochen; Reimer, Jeffrey A.; Long, Jeffrey R. Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework. Journal of the American Chemical Society (2017)
Space group: P 32 2 1
Cell volume: 2533.85
Cell parameters: 20.6012; 20.6012; 6.8939; 90; 90; 120;

COD ID: 4128179

Formula: - C32 H32 Cl F5 N2 O2 Ru S -
Comments: Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst. Journal of the American Chemical Society 141(6) (2019) 2661-2677
Space group: P 32 2 1
Cell volume: 5291.5
Cell parameters: 14.9367; 14.9367; 27.3869; 90; 90; 120;

COD ID: 4128303
CIF file	Formula: - C22 H27 N2 O8.5 - Comments: Thesmar, Pierre; Baudoin, Olivier Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation. Journal of the American Chemical Society 141(40) (2019) 15779-15783 Space group: P 32 2 1 Cell volume: 3113.6 Cell parameters: 9.883; 9.883; 36.809; 90; 90; 120;

COD ID: 4128517

Formula: - C20 H30 O4 -
Comments: Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis. Journal of the American Chemical Society 141(9) (2019) 4043-4050
Space group: P 32 2 1
Cell volume: 2727.13
Cell parameters: 11.2006; 11.2006; 25.1011; 90; 90; 120;

COD ID: 4128684

Formula: - C182.67 H102 O60 P3 Zr9 -
Comments: Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions. Journal of the American Chemical Society 141(18) (2019) 7498-7508
Space group: P 32 2 1
Cell volume: 86818
Cell parameters: 45.122; 45.122; 49.238; 90; 90; 120;

COD ID: 4129075
CIF file	Formula: - C18 H15 N O5 - Comments: Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias Synthesis of Benzylic Alcohols by C-H Oxidation. Journal of the American Chemical Society 141(45) (2019) 17983-17988 Space group: P 32 2 1 Cell volume: 2306.03 Cell parameters: 11.8237; 11.8237; 19.047; 90; 90; 120;

COD ID: 4129431
CIF file	Formula: - C21 H28 O2 - Comments: Rajendar, Goreti; Corey, E. J. A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions. Journal of the American Chemical Society 137(17) (2015) 5837-5844 Space group: P 32 2 1 Cell volume: 2633.01 Cell parameters: 10.7904; 10.7904; 26.1124; 90; 90; 120;

COD ID: 4131080

Formula: - C26 H26 F9 N3 O S -
Comments: Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N. Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis. Journal of the American Chemical Society 138(41) (2016) 13525-13528
Space group: P 32 2 1
Cell volume: 4178.1
Cell parameters: 12.3403; 12.3403; 31.681; 90; 90; 120;

COD ID: 4131081

Formula: - C25 H25 F8 N3 O S -
Comments: Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N. Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis. Journal of the American Chemical Society 138(41) (2016) 13525-13528
Space group: P 32 2 1
Cell volume: 3790.55
Cell parameters: 12.8221; 12.8221; 26.6228; 90; 90; 120;

COD ID: 4131083

Formula: - C23 H27 Cl2 N3 O S -
Comments: Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N. Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis. Journal of the American Chemical Society 138(41) (2016) 13525-13528
Space group: P 32 2 1
Cell volume: 3502.31
Cell parameters: 12.1213; 12.1213; 27.5249; 90; 90; 120;

COD ID: 4131093

Formula: - C64 H70 Cl F14 N7 O6 S2 -
Comments: Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N. Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis. Journal of the American Chemical Society 138(41) (2016) 13525-13528
Space group: P 32 2 1
Cell volume: 5081.7
Cell parameters: 14.3464; 14.3464; 28.5097; 90; 90; 120;

COD ID: 4131507

Formula: - C6 H14 Br3 N2 Rb -
Comments: Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen Precise Molecular Design of High-Tc 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI3 (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane). Journal of the American Chemical Society 139(31) (2017) 10897-10902
Space group: P 32 2 1
Cell volume: 1873.2
Cell parameters: 9.6444; 9.6444; 23.254; 90; 90; 120;

COD ID: 4135314

Formula: - C18 H14 Br N O3 -
Comments: Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis Journal of the American Chemical Society (2020)
Space group: P 32 2 1
Cell volume: 4839.38
Cell parameters: 11.4685; 11.4685; 42.486; 90; 90; 120;

COD ID: 4306693

Formula: - C21 H15 N3 O6 Tc2 -
Comments: Maaz Zuhayra; Ulf Lützen; Arne Lützen; Laszlo Papp; Eberhard Henze; Gernot Friedrichs; Franz Oberdorfer C-H Bond Activation of Coordinated Pyridine: Ortho-Pyridyl-Ditechnetiumhydridocarbonyl Metal Cyclus. Crystal Structure and Dynamic Behavior in Solution Inorganic Chemistry 47 (2008) 10177-10182
Space group: P 32 2 1
Cell volume: 1746.5
Cell parameters: 10.088; 10.088; 19.817; 90; 90; 120;

COD ID: 4311178
CIF file	Formula: - C26.5 H25 Ag Cl F6 N8 P - Comments: Daniel L. Reger; James R. Gardinier; Mark D. Smith Tuning the Coordination Geometry of Silver in Bis(pyrazolyl)alkane Complexes Inorganic Chemistry 43 (2004) 3825-3832 Space group: P 32 2 1 Cell volume: 2363.1 Cell parameters: 12.442; 12.442; 17.6269; 90; 90; 120;

COD ID: 4311717

Formula: - C53.5 H43 Cl2 N7 Ni O10.5 -
Comments: Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine Inorganic Chemistry 43 (2004) 6168-6176
Space group: P 32 2 1
Cell volume: 3909.6
Cell parameters: 11.6939; 11.6939; 33.013; 90; 90; 120;

COD ID: 4314741
CIF file	Formula: - C18 H29 Cl0.5 Co Cr0.5 N6 O8 - Comments: Yuan-Zhu Zhang; Osamu Sato A Cyano-Bridged CrIIICoII Ferromagnet with a Chiral Nanotubular Structure Constituted of Interlocked Single and Double Helices Inorganic Chemistry 49 (2010) 1271-1273 Space group: P 32 2 1 Cell volume: 4117.79 Cell parameters: 16.0231; 16.0231; 18.52; 90; 90; 120;

COD ID: 4318532

Formula: - C4 H8 Cd F4 Mo N2 O4 -
Comments: Paul A. Maggard; Amy L. Kopf; Charlotte L. Stern; Kenneth R. Poeppelmeier; Kang Min Ok; P. Shiv Halasyamani From Linear Inorganic Chains to Helices: Chirality in the M(pyz)(H2O)2MoO2F4 (M = Zn, Cd) Compounds Inorganic Chemistry 41 (2002) 4852-4858
Space group: P 32 2 1
Cell volume: 783.51
Cell parameters: 7.4328; 7.4328; 16.376; 90; 90; 120;

COD ID: 4324925
CIF file	Formula: - C42 H90 Cl2 N10 Ni2 O12 S2 - Comments: Huan-Yong Li; Long Jiang; Hua Xiang; Trevor A. Makal; Hong-Cai Zhou; Tong-Bu Lu Construction of Two 3D Homochiral Frameworks with 1D Chiral Pores via Chiral Recognition Inorganic Chemistry 50 (2011) 3177-3179 Space group: P 32 2 1 Cell volume: 5630.4 Cell parameters: 19.0992; 19.0992; 17.8228; 90; 90; 120;

COD ID: 4325898

Formula: - C90 H100 Cu10 La2 N25 O57.5 -
Comments: Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure Inorganic Chemistry 50 (2011) 7707-7717
Space group: P 32 2 1
Cell volume: 9772.24
Cell parameters: 15.2671; 15.2671; 48.4117; 90; 90; 120;

COD ID: 4331491

Formula: - C19 H20 Co Fe N14 O3 -
Comments: Chen, Xiao-Yan; Shi, Wei; Xia, Jun; Cheng, Peng; Zhao, Bin; Song, Hai-Bin; Wang, Hong-Gen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui Effect of the Semirigid Capping Ligand on the Structure Formation of Cyano-Bridged Bimetallic Assemblies: Syntheses, Crystal Structures, and Magnetic Properties Inorganic Chemistry 44(12) (2005) 4263-4269
Space group: P 32 2 1
Cell volume: 2001.8
Cell parameters: 11.9961; 11.9961; 16.062; 90; 90; 120;

COD ID: 4332750
CIF file	Formula: - B H2 Mn O6 P - Comments: Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co) Inorganic Chemistry 45(19) (2006) 7578-7580 Space group: P 32 2 1 Cell volume: 642.37 Cell parameters: 7.575; 7.575; 12.9268; 90; 90; 120;

COD ID: 4332751
CIF file	Formula: - B Fe H2 O6 P - Comments: Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co) Inorganic Chemistry 45(19) (2006) 7578-7580 Space group: P 32 2 1 Cell volume: 623.06 Cell parameters: 7.4844; 7.4844; 12.8436; 90; 90; 120;

COD ID: 4333255

Formula: - C22 H18 Cl4 N10 O Zn2 -
Comments: Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation Inorganic Chemistry 46(14) (2007) 5691-5699
Space group: P 32 2 1
Cell volume: 2022.36
Cell parameters: 9.6116; 9.6116; 25.2776; 90; 90; 120;

COD ID: 4333257

Formula: - C11 H9 Br2 N5 O0.25 Zn -
Comments: Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation Inorganic Chemistry 46(14) (2007) 5691-5699
Space group: P 32 2 1
Cell volume: 2105.3
Cell parameters: 9.724; 9.724; 25.71; 90; 90; 120;

COD ID: 4334456

Formula: - C57 H66 N8 Ni2 O16 -
Comments: Agnieszka Wojciechowska; Anna Gągor; Marek Duczmal; Zbigniew Staszak; Andrzej Ozarowski l-Tyrosinatonickel(II) Complex: Synthesis and Structural, Spectroscopic, Magnetic, and Biological Properties of 2{[Ni(l-Tyr)2(bpy)]}.3H2O.CH3OH Inorganic Chemistry 52 (2013) 4360-4371
Space group: P 32 2 1
Cell volume: 4269.4
Cell parameters: 12.8116; 12.8116; 30.035; 90; 90; 120;

COD ID: 4336092

Formula: - C16 H13 I N2 S2 Si -
Comments: Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands Inorganic Chemistry 52 (2013) 10664-10676
Space group: P 32 2 1
Cell volume: 1428.3
Cell parameters: 9.969; 9.969; 16.595; 90; 90; 120;

COD ID: 4337167
CIF file	Formula: - C12 H40 B4 Ca N2 O2 - Comments: Dunbar, Andrew C.; Girolami, Gregory S. Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors. Inorganic chemistry 53(2) (2014) 888-896 Space group: P 32 2 1 Cell volume: 3280.1 Cell parameters: 11.5087; 11.5087; 28.5959; 90; 90; 120;

COD ID: 4337773

Formula: - C38 H32 Co Cu2 N10 O4 -
Comments: Biswas, Saptarshi; Gómez-García, Carlos J; Clemente-Juan, Juan M; Benmansour, Samia; Ghosh, Ashutosh Supramolecular 2D/3D Isomerism in a Compound Containing Heterometallic Cu(II)2Co(II) Nodes and Dicyanamide Bridges. Inorganic chemistry 53(5) (2014) 2441-2449
Space group: P 32 2 1
Cell volume: 2775
Cell parameters: 11.447; 11.447; 24.454; 90; 90; 120;

COD ID: 4340109

Formula: - H2 Na O9 S2 U -
Comments: Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials. Inorganic chemistry 53(14) (2014) 7455-7466
Space group: P 32 2 1
Cell volume: 553.45
Cell parameters: 7.0282; 7.0282; 12.9377; 90; 90; 120;

COD ID: 4340199
CIF file	Formula: - Ga H18.6 K2 Na3 O49.3 W12 - Comments: Sundaram, Karthik M.; Neiwert, Wade A.; Hill, Craig L.; Weinstock, Ira A. Relative energies of alpha and beta isomers of Keggin dodecatungstogallate. Inorganic chemistry 45(3) (2006) 958-960 Space group: P 32 2 1 Cell volume: 3878.5 Cell parameters: 18.9201; 18.9201; 12.5108; 90; 90; 120;

COD ID: 4343640
CIF file	Formula: - Cl8 H16 N3 O2 Tc2 - Comments: Bratton, W. K.; Cotton, F. A. Characterization of the trinegative octachloroditechnetate ion Inorganic Chemistry 9 (1970) 789-793 Space group: P 32 2 1 Cell volume: 1236.99 Cell parameters: 13.04; 13.04; 8.4; 90; 90; 120;

COD ID: 4344085

Formula: - C114 H88 F18 N6 O6 P9 Re3 -
Comments: Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties. Inorganic chemistry 54(17) (2015) 8769-8777
Space group: P 32 2 1
Cell volume: 10387.5
Cell parameters: 29.0902; 29.0902; 14.1738; 90; 90; 120;

COD ID: 4346131

Formula: - C120 H126 N38 Nd6 O30 -
Comments: Bala, Sukhen; Sen Bishwas, Mousumi; Pramanik, Bhaskar; Khanra, Sumit; Fromm, Katharina M.; Poddar, Pankaj; Mondal, Raju Construction of Polynuclear Lanthanide (Ln = Dy(III), Tb(III), and Nd(III)) Cage Complexes Using Pyridine-Pyrazole-Based Ligands: Versatile Molecular Topologies and SMM Behavior. Inorganic chemistry 54(17) (2015) 8197-8206
Space group: P 32 2 1
Cell volume: 11559.6
Cell parameters: 16.7861; 16.7861; 47.371; 90; 90; 120;

COD ID: 4347075
CIF file	Formula: - C44 H34 F6 Ir N4 P S2 - Comments: Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S. Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates. Inorganic chemistry 55(5) (2016) 2299-2308 Space group: P 32 2 1 Cell volume: 6019 Cell parameters: 16.325; 16.325; 26.077; 90; 90; 120;

COD ID: 4347775
CIF file	Formula: - C3 H7 N O3 P Zn - Comments: Wang, Kangcai; Bian, Yixuan; Li, Jing; Xu, Dingguo; Lin, Zhien Amine-Ligated Approach for the Synthesis of Extra-Large-Pore Zinc Phosphites with qtz-h and bnn Topologies. Inorganic chemistry 55(8) (2016) 3727-3729 Space group: P 32 2 1 Cell volume: 1214.78 Cell parameters: 10.1988; 10.1988; 13.4856; 90; 90; 120;

COD ID: 4349083
CIF file	Formula: - C35 H47 Br2 Cl0 N4 Ni2 O7 - Comments: Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions. Inorganic chemistry 55(24) (2016) 12696-12706 Space group: P 32 2 1 Cell volume: 8558 Cell parameters: 18.464; 18.464; 28.985; 90; 90; 120;

COD ID: 4350171

Formula: - C42 H72 F12 N12 P2 Zn -
Comments: Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A. Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole. Inorganic chemistry 45(21) (2006) 8711-8718
Space group: P 32 2 1
Cell volume: 4107.13
Cell parameters: 10.2487; 10.2487; 45.1513; 90; 90; 120;

COD ID: 4500246
CIF file	Formula: - C21 H38 Fe N10 Ni O2 - Comments: Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties Crystal Growth & Design 11(1) (2011) 302 Space group: P 32 2 1 Cell volume: 2110.9 Cell parameters: 10.2272; 10.2272; 23.3035; 90; 90; 120;

COD ID: 4500682
CIF file	Formula: - C52 H70 N O9 - Comments: Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives Crystal Growth & Design 11(7) (2011) 2684 Space group: P 32 2 1 Cell volume: 3990.8 Cell parameters: 12.6547; 12.6547; 28.776; 90; 90; 120;

COD ID: 4500972
CIF file	Formula: - C34 H34 Cu3 N4 O10 S2 - Comments: Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates Crystal Growth & Design 11(12) (2011) 5241 Space group: P 32 2 1 Cell volume: 2849.1 Cell parameters: 11.199; 11.199; 26.231; 90; 90; 120;

COD ID: 4501366

Formula: - C40 H40 Br2 Cu N8 O6 -
Comments: Banerjee, Subhabrata; Dastidar, Parthasarathi Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands Crystal Growth & Design 11(12) (2011) 5592
Space group: P 32 2 1
Cell volume: 2947.1
Cell parameters: 13.0842; 13.0842; 19.878; 90; 90; 120;

COD ID: 4501367

Formula: - C28 H38 Br2 Cu N8 O9 -
Comments: Banerjee, Subhabrata; Dastidar, Parthasarathi Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands Crystal Growth & Design 11(12) (2011) 5592
Space group: P 32 2 1
Cell volume: 2432.7
Cell parameters: 13.6744; 13.6744; 15.0225; 90; 90; 120;

COD ID: 4501368

Formula: - C34 H44 Br2 Cu N8 O6 -
Comments: Banerjee, Subhabrata; Dastidar, Parthasarathi Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands Crystal Growth & Design 11(12) (2011) 5592
Space group: P 32 2 1
Cell volume: 2974.9
Cell parameters: 13.0785; 13.0785; 20.083; 90; 90; 120;

COD ID: 4501369

Formula: - C34 H44 Cl2 Cu N8 O6 -
Comments: Banerjee, Subhabrata; Dastidar, Parthasarathi Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands Crystal Growth & Design 11(12) (2011) 5592
Space group: P 32 2 1
Cell volume: 2910.4
Cell parameters: 12.9292; 12.9292; 20.1039; 90; 90; 120;

COD ID: 4503089

Formula: - C10 H10 Cd N2 O6 -
Comments: Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures Crystal Growth & Design 8(2) (2008) 452
Space group: P 32 2 1
Cell volume: 931.7
Cell parameters: 9.1884; 9.1884; 12.743; 90; 90; 120;

COD ID: 4504458

Formula: - C16 H18 N4 O2 -
Comments: Rajput, Lalit; Singha, Subhankar; Biradha, Kumar Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers Crystal Growth & Design 7(12) (2007) 2788
Space group: P 32 2 1
Cell volume: 1143
Cell parameters: 8.6286; 8.6286; 17.727; 90; 90; 120;

COD ID: 4506032
CIF file	Formula: - C99 H100 N12 O31 - Comments: Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors Crystal Growth & Design 12(4) (2012) 2097 Space group: P 32 2 1 Cell volume: 7248.3 Cell parameters: 19.68; 19.68; 21.61; 90; 90; 120;

COD ID: 4506438

Formula: - C12 H10 N2 O6 Zn -
Comments: Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid Crystal Growth & Design 12(8) (2012) 3917
Space group: P 32 2 1
Cell volume: 1012
Cell parameters: 11.846; 11.846; 8.3276; 90; 90; 120;

COD ID: 4506550

Formula: - C62 H48 Co3 N2 O14 -
Comments: Kim, Dongwook; Song, Xiaokai; Yoon, Jung Hee; Lah, Myoung Soo 3,6-Connected Metal‒Organic Frameworks Based on Triscarboxylate as a 3-Connected Organic Node and a Linear Trinuclear Co3(COO)6Secondary Building Unit as a 6-Connected Node Crystal Growth & Design 12(8) (2012) 4186
Space group: P 32 2 1
Cell volume: 7385
Cell parameters: 25.472; 25.472; 13.143; 90; 90; 120;

COD ID: 4507376

Formula: - C30 H64 Ag3 Co2 La N6 O17 S6 -
Comments: Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying 3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization Crystal Growth & Design 13(2) (2013) 918
Space group: P 32 2 1
Cell volume: 3733.5
Cell parameters: 10.1695; 10.1695; 41.686; 90; 90; 120;

COD ID: 4507377

Formula: - C30 H66 Ag3 Co2 Eu N6 O16 S6 -
Comments: Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying 3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization Crystal Growth & Design 13(2) (2013) 918
Space group: P 32 2 1
Cell volume: 3708.4
Cell parameters: 10.1532; 10.1532; 41.538; 90; 90; 120;

COD ID: 4507617

Formula: - C29 H27 N3 Ni2 O12.5 -
Comments: Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand Crystal Growth & Design 13(4) (2013) 1618
Space group: P 32 2 1
Cell volume: 2685.25
Cell parameters: 10.7647; 10.7647; 26.7578; 90; 90; 120;

COD ID: 4507618

Formula: - C29 H27 Co2 N3 O12.5 -
Comments: Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand Crystal Growth & Design 13(4) (2013) 1618
Space group: P 32 2 1
Cell volume: 2962.9
Cell parameters: 11.0778; 11.0778; 27.8793; 90; 90; 120;

COD ID: 4508835

Formula: - C16 H16 N2 O6 U -
Comments: Borkowski, Lauren A.; Cahill, Christopher L. Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence Crystal Growth & Design 6(10) (2006) 2248
Space group: P 32 2 1
Cell volume: 1296.17
Cell parameters: 12.2138; 12.2138; 10.033; 90; 90; 120;

COD ID: 4509990

Formula: - C6 H24 N6 Ni S9 Sb4 Sn -
Comments: Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong [TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers Crystal Growth & Design 14(1) (2014) 101
Space group: P 32 2 1
Cell volume: 2050.3
Cell parameters: 14.4328; 14.4328; 11.3654; 90; 90; 120;

COD ID: 4509991

Formula: - C6 H24 Co N6 S9 Sb4 Sn -
Comments: Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong [TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers Crystal Growth & Design 14(1) (2014) 101
Space group: P 32 2 1
Cell volume: 2055.7
Cell parameters: 14.4431; 14.4431; 11.379; 90; 90; 120;

COD ID: 4512726

Formula: - C39 H61 Cu4.5 N11 O21 -
Comments: Deng, Mingli; Yang, Pan; Liu, Xiaofeng; Xia, Bing; Chen, Zhenxia; Ling, Yun; Weng, Linhong; Zhou, Yaming; Sun, Jinyu End-End Connection Pattern of Trinuclear-Triangular Copper Cluster for Construction of Two Metal‒Organic Frameworks: Syntheses, Structures, Magnetic and Gas Adsorption Properties Crystal Growth & Design 15(3) (2015) 1526
Space group: P 32 2 1
Cell volume: 13606
Cell parameters: 22.741; 22.741; 30.38; 90; 90; 120;

COD ID: 4513188

Formula: - C32 H42 Cd N4 O11 -
Comments: Gong, Yun-Nan; Xie, Yong-Rong; Zhong, Di-Chang; Du, Zi-Yi; Lu, Tong-Bu A Two-Fold Interpenetrating Porous Metal‒Organic Framework with a Large Solvent-Accessible Volume: Gas Sorption and Luminescent Properties Crystal Growth & Design 15(7) (2015) 3119
Space group: P 32 2 1
Cell volume: 4803.9
Cell parameters: 14.0306; 14.0306; 28.178; 90; 90; 120;

COD ID: 4513528
CIF file	Formula: - C24 H22 Cd1.5 N2 O7.5 - Comments: Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives Crystal Growth & Design 15(9) (2015) 4676 Space group: P 32 2 1 Cell volume: 3620.6 Cell parameters: 9.9455; 9.9455; 42.2668; 90; 90; 120;

COD ID: 4513784

Formula: - C27 H38 B Br O3 -
Comments: Jarava-Barrera, Carlos; Parra, Alejandro; López, Aurora; Cruz-Acosta, Fabio; Collado-Sanz, Daniel; Cárdenas, Diego J; Tortosa, Mariola Copper-Catalyzed Borylative Aromatization of p-Quinone Methides: Enantioselective Synthesis of Dibenzylic Boronates. ACS catalysis 6(1) (2016) 442-446
Space group: P 32 2 1
Cell volume: 4067.28
Cell parameters: 13.3911; 13.3911; 26.1903; 90; 90; 120;

COD ID: 4515017

Formula: - C24 H36 Cl3 Cr N4 -
Comments: Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C. Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks. ACS omega 4(5) (2019) 9181-9187
Space group: P 32 2 1
Cell volume: 1893.9
Cell parameters: 12.8928; 12.8928; 13.1562; 90; 90; 120;

COD ID: 4515265

Formula: - C36 H43 Mo12 N6 O41 P Zn4 -
Comments: Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery ACS Applied Energy Materials 1(9) (2018) 4931
Space group: P 32 2 1
Cell volume: 5942.4
Cell parameters: 22.711; 22.711; 13.3033; 90; 90; 120;

COD ID: 4517751

Formula: - C11 H11 N2 O3.5 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer iso-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 32 2 1
Cell volume: 1794.68
Cell parameters: 14.9944; 14.9944; 9.2172; 90; 90; 120;

COD ID: 4518096
CIF file	Formula: - C182 H240 Ag30 B80 N4 O4 P12 S24 - Comments: Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W. Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters ACS Central Science (2020) Space group: P 32 2 1 Cell volume: 25500.7 Cell parameters: 34.9242; 34.9242; 24.1417; 90; 90; 120;

COD ID: 5000035
CIF file	Formula: - O2 Si - Comments: Will, G; Bellotto, M; Parrish, W; Hart, M Crystal structures of quartz and magnesium germanate by profile analysis of synchrotron-radiation high-resolution powder data. Journal of Applied Crystallography 21 (1988) 182-191 Space group: P 32 2 1 Cell volume: 112.9 Cell parameters: 4.91239; 4.91239; 5.40385; 90; 90; 120;

COD ID: 5000395
CIF file	Formula: - C94 H104 O6 - Comments: Watson, Jr, James A.; Pascal, Jr, Robert A.; Ho, Douglas M.; Kilway, Kathleen V. Synthesis and structure of a twisted, colossal quinone Tetrahedron Letters 41(26) (2000) 5005-5008 Space group: P 32 2 1 Cell volume: 6069.12 Cell parameters: 16.5203; 16.5203; 25.6779; 90; 90; 120;

COD ID: 6000360
CIF file	Formula: - N O P - Comments: Leger, J. M.; Haines, J.; de Oliveira, L. S.; Chateau, C.; Le, Sauze A; Marchand, R.; Hull, S. Crystal structure and high pressure behaviour of the quartz-type phase of phosphorus oxynitride pon Journal of Physics and Chemistry of Solids 60 (1999) 145-152 Space group: P 32 2 1 Cell volume: 102.81 Cell parameters: 4.757; 4.757; 5.246; 90; 90; 120;

COD ID: 7001188

Formula: - C18 H10 Cl Mn3 N4 O10 S2 -
Comments: Ghosh, Shishir; Kabir, Shariff E.; Pervin, Salina; Raha, Arun K.; Golzar Hossain, G. M.; Haworth, Daniel T.; Lindeman, Sergey V.; Bennett, Dennis W.; Siddiquee, Tasneem A.; Salassa, Luca; Roesky, Herbert W. Tetranuclear group 7/8 mixed-metal and open trinuclear group 7 metal carbonyl clusters bearing bridging 2-mercapto-1-methylimidazole ligands Dalton Transactions (issue 18) (2009) 3510-3518
Space group: P 32 2 1
Cell volume: 1848.44
Cell parameters: 9.4042; 9.4042; 24.1341; 90; 90; 120;

COD ID: 7002570

Formula: - C35 H53 Al O2 S2 -
Comments: Lian, Bing; Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun Neutral and cationic aluminium complexes containing a chiral (OSSO)-type bis(phenolato) ligand: synthesis, structures and polymerization activity Dalton Transactions (issue 41) (2009) 9033-9042
Space group: P 32 2 1
Cell volume: 5199.8
Cell parameters: 15.0614; 15.0614; 26.4682; 90; 90; 120;

COD ID: 7005784

Formula: - C34 H66 Cl2 P2 Pd -
Comments: Muñoz, Bianca K; Godard, Cyril; Marinetti, Angela; Ruiz, Aurora; Benet-Buchholz, Jordi; Claver, Carmen Pd-catalysed methoxycarbonylation of vinylarenes using chiral monodentate phosphetanes and phospholane as ligands. Effect of substrate substituents on enantioselectivity. Dalton transactions (Cambridge, England : 2003) (issue 47) (2007) 5524-5530
Space group: P 32 2 1
Cell volume: 2939.5
Cell parameters: 13.3102; 13.3102; 19.1593; 90; 90; 120;

COD ID: 7006302

Formula: - C48 H52 N4 O4 S4 -
Comments: Kozlova, Marina N.; Ferlay, Sylvie; Solovieva, Svetlana E.; Antipin, Igor S.; Konovalov, Alexander I.; Kyritsakas, Nathalie; Hosseini, Mir Wais Molecular tectonics: on the formation of 1-D silver coordination networks by thiacalixarenes bearing nitrile groups. Dalton transactions (Cambridge, England : 2003) (issue 44) (2007) 5126-5131
Space group: P 32 2 1
Cell volume: 3515.3
Cell parameters: 18.591; 18.591; 11.7442; 90; 90; 120;

COD ID: 7006434

Formula: - C32 H64 N4 O6 Sn2 -
Comments: Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C. Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4. Dalton transactions (Cambridge, England : 2003) (issue 6) (2006) 846-851
Space group: P 32 2 1
Cell volume: 3079.5
Cell parameters: 17.406; 17.406; 11.737; 90; 90; 120;

COD ID: 7007565
CIF file	Formula: - C92 H126 K4 N8 O - Comments: Hebden, Travis J.; Brennessel, William W.; Flaschenriem, Christine J.; Holland, Patrick L. A dinucleating ligand related to the beta-diketiminates. Dalton transactions (Cambridge, England : 2003) (issue 32) (2006) 3855-3857 Space group: P 32 2 1 Cell volume: 6597.3 Cell parameters: 14.1939; 14.1939; 37.812; 90; 90; 120;

COD ID: 7007596

Formula: - C18 H23.39 Fe I2.63 N10 -
Comments: Brewer, Greg; Olida, Myro Joy; Schmiedekamp, Ann M.; Viragh, Carol; Zavalij, Peter Y. A DFT computational study of spin crossover in iron(III) and iron(II) tripodal imidazole complexes. A comparison of experiment with calculations. Dalton transactions (Cambridge, England : 2003) (issue 47) (2006) 5617-5629
Space group: P 32 2 1
Cell volume: 4438.4
Cell parameters: 11.9397; 11.9397; 35.951; 90; 90; 120;

COD ID: 7009456

Formula: - C20 H25 Br N O7 Re -
Comments: Heard, Peter J.; King, Paul M.; Tocher, Derek A. Tricarbonylrhenium(I) halide complexes of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]pyridine (L1) and 2,6-bis[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]pyridine (L2): structure and solution stereodynamics Journal of the Chemical Society, Dalton Transactions (issue 11) (2000) 1769
Space group: P 32 2 1
Cell volume: 3551.5
Cell parameters: 14.438; 14.438; 19.673; 90; 90; 120;

COD ID: 7011083
CIF file	Formula: - C12 H20 N4 Ni O3 - Comments: Colin L. Weeks; Peter Turner; Ronald R. Fenton; Peter A. Lay Nickel(II) complexes with amide ligands: oxidative dehydrogenation of the amines in a tetradentate diamide‒diamine ligand J. Chem. Soc., Dalton Trans. (issue 6) (2002) 931-940 Space group: P 32 2 1 Cell volume: 1108.8 Cell parameters: 8.5856; 8.5856; 17.3694; 90; 90; 120;

COD ID: 7012443

Formula: - C48.5 H39 Cu2 F12 N8 O P2 -
Comments: Tuna, Floriana; Hamblin, Jacqueline; Jackson, Alexander; Clarkson, Guy; Alcock, Nathaniel W.; Hannon, Michael J. Metallo-supramolecular libraries: triangles, polymers and double-helicates assembled by copper(i) coordination to directly linked bis-pyridylimine ligands Dalton Transactions (issue 11) (2003) 2141
Space group: P 32 2 1
Cell volume: 3675.2
Cell parameters: 16.9903; 16.9903; 14.7009; 90; 90; 120;

COD ID: 7013581

Formula: - C97 H112 F24 N10 O7 P4 Ru2 -
Comments: Bonnet, Sylvestre; Collin, Jean-Paul; Gruber, Nathalie; Sauvage, Jean-Pierre; Schofield, Emma R. Photochemical and thermal synthesis and characterization of polypyridine ruthenium(ii) complexes containing different monodentate ligandsElectronic supplementary information (ESI) available: View of the dimeric units of 8 and proton indexation used in the 1H NMR data. See http://www.rsc.org/suppdata/dt/b3/b310198c/ Dalton Transactions (issue 24) (2003) 4654
Space group: P 32 2 1
Cell volume: 7960.83
Cell parameters: 13.5432; 13.5432; 50.117; 90; 90; 120;

COD ID: 7014372

Formula: - C67 H97 Al2 N4 O6 -
Comments: George, Michael W.; Hall, Michael B.; Portius, Peter; Renz, Amanda L.; Sun, Xue-Zhong; Towrie, Michael; Yang, Xinzheng Combined experimental and theoretical investigation into C-H activation of cyclic alkanes by Cp'Rh(CO)(2) (Cp' = η(5)-C(5)H(5) or η(5)-C(5)Me(5)). Dalton transactions (Cambridge, England : 2003) 40(8) (2011) 1751-1757
Space group: P 32 2 1
Cell volume: 4768.3
Cell parameters: 18.579; 18.579; 15.951; 90; 90; 120;

COD ID: 7015504

Formula: - C7 H8 Mn O7 -
Comments: Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K. Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6401-6410
Space group: P 32 2 1
Cell volume: 773.13
Cell parameters: 9.0553; 9.0553; 10.8872; 90; 90; 120;

COD ID: 7017408

Formula: - C42 H24 Fe N12 -
Comments: Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S. Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism. Dalton transactions (Cambridge, England : 2003) 40(45) (2011) 12358-12367
Space group: P 32 2 1
Cell volume: 2570.35
Cell parameters: 12.9204; 12.9204; 17.7791; 90; 90; 120;

COD ID: 7018203

Formula: - Br4 Cs1.11 O1.78 Tc -
Comments: Poineau, Frederic; Forster, Paul M.; Todorova, Tanya K.; Gagliardi, Laura; Sattelberger, Alfred P.; Czerwinski, Kenneth R. Multi-configurational quantum chemical studies of the Tc(2)X(8)(n-) (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3(-)). Dalton transactions (Cambridge, England : 2003) 41(10) (2012) 2869-2872
Space group: P 32 2 1
Cell volume: 1486.8
Cell parameters: 13.571; 13.571; 9.322; 90; 90; 120;

COD ID: 7018300
CIF file	Formula: - C68 H106 Cl16 N18 Ni6 O12 - Comments: Cheng, Ting-Peng; Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung Dinickel(ii) complexes: Preparation and catalytic activity. Dalton transactions (Cambridge, England : 2003) 41(12) (2012) 3468-3473 Space group: P 32 2 1 Cell volume: 6875.5 Cell parameters: 14.7648; 14.7648; 36.4182; 90; 90; 120;

COD ID: 7019233

Formula: - C27 H35 Br2 Mg N3 -
Comments: Guard, Louise M.; Palma, Julio L.; Stratton, William P.; Allen, Laura J.; Brudvig, Gary W.; Crabtree, Robert H.; Batista, Victor S.; Hazari, Nilay Synthesis and computational studies of Mg complexes supported by 2,2':6,2''-terpyridine ligands. Dalton transactions (Cambridge, England : 2003) 41(26) (2012) 8098-8110
Space group: P 32 2 1
Cell volume: 2164.8
Cell parameters: 12.5029; 12.5029; 15.991; 90; 90; 120;

COD ID: 7020486

Formula: - C19 H29 Cl Mn1.5 N3 O6 -
Comments: Su, Hongying; Wu, Changqiang; Zhu, Jiang; Miao, Tianxin; Wang, Dan; Xia, Chunchao; Zhao, Xuna; Gong, Qiyong; Song, Bin; Ai, Hua Rigid Mn(ii) chelate as efficient MRI contrast agent for vascular imaging. Dalton transactions (Cambridge, England : 2003) 41(48) (2012) 14480-14483
Space group: P 32 2 1
Cell volume: 4019.6
Cell parameters: 13.069; 13.069; 27.1747; 90; 90; 120;

COD ID: 7024489

Formula: - C15 H6 Ag4 F9 N O9 -
Comments: Wang, Siegfried M. J.; Zhao, Liang; Mak, Thomas C. W. Coordination networks constructed with the multinuclear silver-ethynide supramolecular synthon 4-nitrophenyl-C[triple bond]C subset Ag(n) (n = 3, 4, 5). Dalton transactions (Cambridge, England : 2003) 39(8) (2010) 2108-2121
Space group: P 32 2 1
Cell volume: 3398.6
Cell parameters: 11.6936; 11.6936; 28.6993; 90; 90; 120;

COD ID: 7026212
CIF file	Formula: - C33 H45 Al N2 - Comments: Qian, Feng; Liu, Keyin; Ma, Haiyan Amidinate aluminium complexes: synthesis, characterization and ring-opening polymerization of rac-lactide. Dalton transactions (Cambridge, England : 2003) 39(34) (2010) 8071-8083 Space group: P 32 2 1 Cell volume: 2362.8 Cell parameters: 14.9484; 14.9484; 12.2099; 90; 90; 120;

COD ID: 7026280

Formula: - C36 H28 Cl2 N8 Ni O4.5 -
Comments: Gong, Yun; Zhou, Yuchao; Li, Jinghua; Cao, Rong; Qin, Jianbo; Li, Jian Reversible color changes of metal(II)-N(1),N(3)-di(pyridin-4-yl)isophthalamide complexes via desolvation and solvation. Dalton transactions (Cambridge, England : 2003) 39(41) (2010) 9923-9928
Space group: P 32 2 1
Cell volume: 3415.29
Cell parameters: 14.4083; 14.4083; 18.9964; 90; 90; 120;

COD ID: 7026418

Formula: - C68 H122 Cl6 Mn8 N12 O40 -
Comments: Wu, Che-Chih; Datta, Saiti; Wernsdorfer, Wolfgang; Lee, Gene-Hsian; Hill, Stephen; Yang, En-Che Studies of magnetic properties and HFEPR of octanuclear manganese single-molecule magnets. Dalton transactions (Cambridge, England : 2003) 39(42) (2010) 10160-10168
Space group: P 32 2 1
Cell volume: 8130
Cell parameters: 24.9951; 24.9951; 15.0263; 90; 90; 120;

COD ID: 7026471

Formula: - C67 H97 Al2 N4 O6 -
Comments: Gledhill, Alexandra C.; Cosgrove, Nichola E.; Nixon, Tracy D.; Kilner, Colin A.; Fisher, Julie; Kee, Terence P. Asymmetric general base catalysis of the phospho-aldol reaction via dimeric aluminium hydroxides. Dalton transactions (Cambridge, England : 2003) 39(40) (2010) 9472-9475
Space group: P 32 2 1
Cell volume: 4768.3
Cell parameters: 18.579; 18.579; 15.951; 90; 90; 120;

COD ID: 7026907

Formula: - C47 H62 N10 O6.33 Zn -
Comments: Cryder, Jessica L.; Killgore, Andrew J.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Daley, Christopher J. A. Novel metal complexes containing a chiral trinitrogen isoindoline-based pincer ligand: in situ synthesis and structural characterization. Dalton transactions (Cambridge, England : 2003) 39(44) (2010) 10671-10677
Space group: P 32 2 1
Cell volume: 3586
Cell parameters: 18.788; 18.788; 11.73; 90; 90; 120;

COD ID: 7026954

Formula: - C19.5 H27 Cd1.5 N3 O15 S3 -
Comments: Fei, Honghan; Oliver, Scott R. J. Two cationic metal-organic frameworks based on cadmium and α,ω-alkanedisulfonate anions and their photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 39(46) (2010) 11193-11200
Space group: P 32 2 1
Cell volume: 1524.9
Cell parameters: 11.781; 11.781; 12.6868; 90; 90; 120;

COD ID: 7026955

Formula: - C21 H30 Cd1.5 N3 O15 S3 -
Comments: Fei, Honghan; Oliver, Scott R. J. Two cationic metal-organic frameworks based on cadmium and α,ω-alkanedisulfonate anions and their photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 39(46) (2010) 11193-11200
Space group: P 32 2 1
Cell volume: 1531.75
Cell parameters: 11.8001; 11.8001; 12.7024; 90; 90; 120;

COD ID: 7029208

Formula: - C32 H34 Ag F6 N2 S4 Sb -
Comments: Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W. Molecular tectonics: anion control of dimensionality and connectivity in meta-pyridyl appended tetramercaptotetrathiacalix[4]arene based silver coordination networks. Dalton transactions (Cambridge, England : 2003) 43(1) (2014) 158-165
Space group: P 32 2 1
Cell volume: 7024.6
Cell parameters: 23.1415; 23.1415; 15.1463; 90; 90; 120;

COD ID: 7029275
CIF file	Formula: - C14 H24 N6 O14 P4 Zn3 - Comments: Zhang, Xiu-Ling; Cheng, Kai; Wang, Fei; Zhang, Jian Chiral and achiral imidazole-linked tetrahedral zinc phosphonate frameworks with photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 43(1) (2014) 285-289 Space group: P 32 2 1 Cell volume: 2570.99 Cell parameters: 14.3807; 14.3807; 14.3552; 90; 90; 120;

COD ID: 7030090

Formula: - C63 H46 N6 O48 Pb10 -
Comments: Han, Yun-Hu; Tian, Chong-Bin; Du, Shao-Wu An unusual chiral 3D inorganic connectivity featuring a {Pb18} wheel: rapid and highly selective and sensitive sensing of Co(ii). Dalton transactions (Cambridge, England : 2003) 43(30) (2014) 11461-11464
Space group: P 32 2 1
Cell volume: 6433.5
Cell parameters: 15.6516; 15.6516; 30.325; 90; 90; 120;

COD ID: 7031638

Formula: - C92 H80 Cl2 Mn4 N16 O16 P2 -
Comments: Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F. Helicity inversion and redox chemistry of chiral manganese(ii) cubanes. Dalton transactions (Cambridge, England : 2003) 43(34) (2014) 12917
Space group: P 32 2 1
Cell volume: 7751.78
Cell parameters: 21.61754; 21.61754; 19.15394; 90; 90; 120;

COD ID: 7034278

Formula: - C103 H120 Cu4 N16 O33 -
Comments: Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis. Dalton transactions (Cambridge, England : 2003) 44(27) (2015) 12180-12188
Space group: P 32 2 1
Cell volume: 8319.52
Cell parameters: 16.74461; 16.74461; 34.2624; 90; 90; 120;

COD ID: 7035185

Formula: - C27 H22 Cd N2 O4 S2 -
Comments: Sun, Yan-Qiong; Zhong, Jie-Cen; Ding, Ling; Chen, Yi-Ping Syntheses, structures, photoluminescence and photocatalysis of chiral 3D Cd(ii) frameworks from achiral mixed flexible ligands by spontaneous resolution. Dalton transactions (Cambridge, England : 2003) 44(26) (2015) 11852-11859
Space group: P 32 2 1
Cell volume: 1910.2
Cell parameters: 11.684; 11.684; 16.157; 90; 90; 120;

COD ID: 7035225

Formula: - C58 H56 Co3 N8 O20 -
Comments: Xu, Zhong-Xuan; Kang, Yao; Han, Min-Le; Li, Dong-Sheng; Zhang, Jian Integration of a semi-rigid proline ligand and 4,4'-bipyridine in the synthesis of homochiral metal-organic frameworks with helices. Dalton transactions (Cambridge, England : 2003) 44(24) (2015) 11052-11056
Space group: P 32 2 1
Cell volume: 4673
Cell parameters: 11.3994; 11.3994; 41.5243; 90; 90; 120;

COD ID: 7037466
CIF file	Formula: - C18 H14 N O8 Tb - Comments: Zhao, Xiao-Lin; Tian, Dan; Gao, Qiang; Sun, Hong-Wei; Xu, Jian; Bu, Xian-He A chiral lanthanide metal-organic framework for selective sensing of Fe(iii) ions. Dalton transactions (Cambridge, England : 2003) 45(3) (2016) 1040-1046 Space group: P 32 2 1 Cell volume: 3781.4 Cell parameters: 13.797; 13.797; 22.938; 90; 90; 120;

COD ID: 7038194

Formula: - C42.5 H72 Mo2 O4 P4 -
Comments: Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers. Dalton transactions (Cambridge, England : 2003) 45(12) (2016) 4961-4964
Space group: P 32 2 1
Cell volume: 3447.9
Cell parameters: 21.3078; 21.3078; 8.7689; 90; 90; 120;

COD ID: 7038195

Formula: - C40 H66 O4 P4 W2 -
Comments: Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers. Dalton transactions (Cambridge, England : 2003) 45(12) (2016) 4961-4964
Space group: P 32 2 1
Cell volume: 3515.6
Cell parameters: 21.4329; 21.4329; 8.837; 90; 90; 120;

COD ID: 7038860

Formula: - C45 H50 Cl2 Cu N6 O9 -
Comments: Mahendiran, Dharmasivam; Kumar, Raju Senthil; Viswanathan, Vijayan; Velmurugan, Devadasan; Rahiman, Aziz Kalilur Targeting of DNA molecules, BSA/c-Met tyrosine kinase receptors and anti-proliferative activity of bis(terpyridine)copper(ii) complexes. Dalton transactions (Cambridge, England : 2003) 45(18) (2016) 7794-7814
Space group: P 32 2 1
Cell volume: 7580.8
Cell parameters: 16.0226; 16.0226; 34.0974; 90; 90; 120;

COD ID: 7039768

Formula: - C78 H112 Al2 O6 P2 -
Comments: Chang, Yu-Ning; Lee, Pei-Ying; Zou, Xue-Ru; Huang, Han-Fan; Chen, Yi-Wei; Liang, Lan-Chang Aluminum complexes containing biphenolate phosphine ligands: synthesis and living ring-opening polymerization catalysis. Dalton transactions (Cambridge, England : 2003) 45(40) (2016) 15951-15962
Space group: P 32 2 1
Cell volume: 5909.5
Cell parameters: 17.822; 17.822; 21.4837; 90; 90; 120;

COD ID: 7039979

Formula: - C14 H10 Mo2 O4 Sb2 -
Comments: Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes. Dalton transactions (Cambridge, England : 2003) 45(35) (2016) 13742-13749
Space group: P 32 2 1
Cell volume: 1291.73
Cell parameters: 8.6935; 8.6935; 19.7356; 90; 90; 120;

COD ID: 7040112

Formula: - C66 H60 Cd3 N4 O23 -
Comments: Huang, Wen-Huan; Li, Jia-Zhi; Gao, Lu-Sha; Wang, Yan-Xin; Liu, Shu-Ya; Jiang, Min; Liu, Tong; Wang, Yao-Yu The influence of structural isomerism on fluorescence and organic dye selective adsorption in two complexes based on flexible ligands. Dalton transactions (Cambridge, England : 2003) 45(38) (2016) 15060-15066
Space group: P 32 2 1
Cell volume: 5227
Cell parameters: 15.398; 15.398; 25.456; 90; 90; 120;

COD ID: 7043551

Formula: - C9 H14 Cu N4 O6 -
Comments: Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs Dalton Trans. (2017)
Space group: P 32 2 1
Cell volume: 2525.8
Cell parameters: 16.572; 16.572; 10.62; 90; 90; 120;

COD ID: 7045236

Formula: - C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -
Comments: Chen, Shuai; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian Hydrogen bond-assisted homochiral lattice packing between inorganic helices built from heterometallic units. Dalton transactions (Cambridge, England : 2003) 47(7) (2018) 2134-2137
Space group: P 32 2 1
Cell volume: 1089.5
Cell parameters: 10.6552; 10.6552; 11.0809; 90; 90; 120;

COD ID: 7048551

Formula: - C14 H8 Cu N4 O4 S -
Comments: Gogia, Alisha; Mandal, Sanjay K. A rational design and green synthesis of 3D metal organic frameworks containing a rigid heterocyclic nitrogen-rich dicarboxylate: structural diversity, CO2 sorption and selective sensing of 2,4,6-TNP in water. Dalton transactions (Cambridge, England : 2003) 48(7) (2019) 2388-2398
Space group: P 32 2 1
Cell volume: 2295.8
Cell parameters: 11.018; 11.018; 21.837; 90; 90; 120;

COD ID: 7048785

Formula: - C18 H24 B0.5 Cu0.5 F2 N2 -
Comments: Das, Biswanath; Bhadbhade, Mohan; Thapper, Anders; Ling, Chris D.; Colbran, Stephen Boyd A New Tri-nuclear Cu-carbonate Cluster Utilizing CO2 as C1-Building Block-Reactive Intermediates, Probable Mechanism, EPR and Magnetic Studies Dalton Transactions (2019)
Space group: P 32 2 1
Cell volume: 3046.1
Cell parameters: 11.2232; 11.2232; 27.924; 90; 90; 120;

COD ID: 7050784

Formula: - C6 H6 Br2 -
Comments: Vasilyev, Alexandr V.; Lindeman, Sergey V.; Kochi, Jay K. Molecular structures of the metastable charge-transfer complexes of benzene (and toluene) with bromine as the pre-reactive intermediates in electrophilic aromatic bromination New Journal of Chemistry 26(5) (2002) 582
Space group: P 32 2 1
Cell volume: 573.1
Cell parameters: 8.721; 8.721; 8.701; 90; 90; 120;

COD ID: 7052871
CIF file	Formula: - C10 H10 Co F6 Sb - Comments: Diana, Eliano; Chierotti, Michele R.; Marchese, Edoardo M. C.; Croce, Gianluca; Milanesio, Marco; Stanghellini, Pier Luigi Blue and red shift hydrogen bonds in crystalline cobaltocinium complexes New Journal of Chemistry 36(4) (2012) 1099 Space group: P 32 2 1 Cell volume: 907.5 Cell parameters: 9.2135; 9.2135; 12.344; 90; 90; 120;

COD ID: 7053909
CIF file	Formula: - C38 H40 Cu N4 O10 - Comments: Tanaka, Koichi; Kikumoto, Yuki; Hota, Naoki; Takahashi, Hiroki Homochiral coordination polymers with nanotubular channels for enantioselective sorption of chiral guest molecules New Journal of Chemistry 38(3) (2014) 880 Space group: P 32 2 1 Cell volume: 2714.67 Cell parameters: 8.8996; 8.8996; 39.5773; 90; 90; 120;

COD ID: 7054626
CIF file	Formula: - C2 H8 O8 Zn - Comments: Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer New J. Chem. 39(3) (2015) 2075 Space group: P 32 2 1 Cell volume: 577.41 Cell parameters: 7.42; 7.42; 12.11; 90; 90; 120;

COD ID: 7058664

Formula: - C61.5 H55 Cl3 Cu2 I2 P4 S2 -
Comments: Wei, Qiong; Chen, Hong-Ting; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Fa-Bao; Cong, Heng-Jiang; Wong, Wai-Yeung; Alamry, Khalid A.; Qin, Hai-Mei Syntheses and photoluminescence of copper(i) halide complexes containing dimethylthiophene bidentate phosphine ligands New Journal of Chemistry 43(34) (2019) 13408
Space group: P 32 2 1
Cell volume: 4814.6
Cell parameters: 14.4159; 14.4159; 26.7513; 90; 90; 120;

COD ID: 7061442