Search results

Formula: - C24 H38 O5 -
Comments: Palomo, Claudio; Oiarbide, Mikel; García, Jesús M; Bañuelos, Patricia; Odriozola, José M; Razkin, Jesús; Linden, Anthony Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers. Organic letters 10(13) (2008) 2637-2640
Space group: P 41
Cell volume: 2278.12
Cell parameters: 11.9202; 11.9202; 16.0328; 90; 90; 90;

COD ID: 1507249
CIF file	Formula: - C84 H106 Cl4 N4 Pd2 - Comments: Jensen, David R.; Sigman, Matthew S. Palladium catalysts for aerobic oxidative kinetic resolution of secondary alcohols based on mechanistic insight. Organic letters 5(1) (2003) 63-65 Space group: P 41 Cell volume: 8092.1 Cell parameters: 21.5844; 21.5844; 17.3692; 90; 90; 90;

COD ID: 1507310

Formula: - C17 H16 I N O3 -
Comments: Zhdankin, Viktor V.; Koposov, Alexey Y.; Su, Liansheng; Boyarskikh, Vyacheslav V.; Netzel, Brian C.; Young, Jr, Victor G Synthesis and structure of amino acid-derived benziodazoles: new hypervalent iodine heterocycles. Organic letters 5(9) (2003) 1583-1586
Space group: P 41
Cell volume: 1647.5
Cell parameters: 9.0611; 9.0611; 20.066; 90; 90; 90;

COD ID: 1507450
CIF file	Formula: - C21 H27 F3 N2 O5 - Comments: Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization Organic Letters 4(9) (2002) 1571 Space group: P 41 Cell volume: 2344 Cell parameters: 12.229; 12.229; 15.675; 90; 90; 90;

COD ID: 1507802

Formula: - C25 H37 N O5 -
Comments: Cao, Mingming; Zhang, Yu; He, Hongping; Li, Shifei; Huang, Shengdian; Chen, Duozhi; Tang, Guihua; Li, Shunlin; Di, Yingtong; Hao, Xiaojiang Daphmacromines A-J, Alkaloids from Daphniphyllum macropodum. Journal of natural products 75(6) (2012) 1076-1082
Space group: P 41
Cell volume: 2345.71
Cell parameters: 14.3257; 14.3257; 11.4299; 90; 90; 90;

COD ID: 1508560

Formula: - C18 H22 Cl N O5 -
Comments: Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui Cytotoxic alkaloids from the whole plants of zephyranthes Candida. Journal of natural products 75(12) (2012) 2113-2120
Space group: P 41
Cell volume: 1733.7
Cell parameters: 10.0493; 10.0493; 17.167; 90; 90; 90;

COD ID: 1511272
CIF file	Formula: - B O2 Tl - Comments: Amoussou, D.; Touboul, M. Structure cristalline de Tl B O2 Revue de Chimie Minerale 15 (1978) 223-231 Space group: P 41 Cell volume: 509.242 Cell parameters: 7.38; 7.38; 9.35; 90; 90; 90;

COD ID: 1511438
CIF file	Formula: - B - Comments: Ploog, K.; Kasper, J.S.; Vlasse, M.; Naslain, R. The crystal structure of tetragonal boron Journal of the Less-Common Metals 67 (1979) 1-6 Space group: P 41 Cell volume: 1456.95 Cell parameters: 10.14; 10.14; 14.17; 90; 90; 90;

COD ID: 1513399
CIF file	Formula: - C16 H15 Br O2 - Comments: Han, Fu-Zhong; Zhu, Fu-Lin; Wang, Ya-Hui; Zou, Yuan; Hu, Xin-Hu; Chen, Song; Hu, Xiang-Ping Highly enantioselective copper-catalyzed propargylic substitution of propargylic acetates with 1,3-dicarbonyl compounds. Organic letters 16(2) (2014) 588-591 Space group: P 41 Cell volume: 1386 Cell parameters: 7.3072; 7.3072; 25.958; 90; 90; 90;

COD ID: 1514427
CIF file	Formula: - C36.25 H47.5 Au Cl F3 N3 O4 S - Comments: Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science 4(4) (2013) 1552 Space group: P 41 Cell volume: 16159.3 Cell parameters: 27.6; 27.6; 21.2131; 90; 90; 90;

COD ID: 1518420
CIF file	Formula: - C15 H15 N O - Comments: Ran, Rui-Qiao; Xiu, Shi-Dong; Li, Chuan-Ying Synthesis of N-acylamidines via rhodium-catalyzed reaction of nitrosobenzene derivatives with N-sulfonyl-1,2,3-triazoles. Organic letters 16(24) (2014) 6394-6396 Space group: P 41 Cell volume: 1303.4 Cell parameters: 9.0756; 9.0756; 15.824; 90; 90; 90;

COD ID: 1519264
CIF file	Formula: - C14 H14 N4 O2 S2 - Comments: Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L. 2-(4-Amino-benzenesulfonylamino)-3H-thiazol-1-ylium and pyridine solvate Crystal Structure Report Archive (2000) 184 Space group: P 41 Cell volume: 1537.2 Cell parameters: 8.6514; 8.6514; 20.538; 90; 90; 90;

COD ID: 1519829
CIF file	Formula: - C18 H24 N5 O2 P3 S2 - Comments: Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B. C18H24N5O2P3S2 Crystal Structure Report Archive (2007) 312 Space group: P 41 Cell volume: 2212.96 Cell parameters: 11.4892; 11.4892; 16.7646; 90; 90; 90;

COD ID: 1519867
CIF file	Formula: - C18 H24 N5 O2 P3 S2 - Comments: Shaw, R. A.; Davies, David B.; Kilic, A.; Yesilot, S.; Coles, Simon J.; Hursthouse, Michael B. C18H24N5O2P3S2 Crystal Structure Report Archive (2007) 263 Space group: P 41 Cell volume: 2216.95 Cell parameters: 11.4912; 11.4912; 16.789; 90; 90; 90;

COD ID: 1520074

Formula: - C19 H41 Fe N O3 P2 -
Comments: Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci. 6(7) (2015) 4291
Space group: P 41
Cell volume: 2297.1
Cell parameters: 11.736; 11.736; 16.678; 90; 90; 90;

COD ID: 1520586

Formula: - C32 H48 Hf N2 O4 -
Comments: Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci. 6(8) (2015) 5034
Space group: P 41
Cell volume: 3107.12
Cell parameters: 10.39461; 10.39461; 28.7569; 90; 90; 90;

COD ID: 1521678
CIF file	Formula: - B5 H9 - Comments: Nordman, C.E. The crystal structure of B5 H9 below the 136.7 K phase transition Journal of Molecular Structure 485 (1999) 299-303 Space group: P 41 Cell volume: 1040.19 Cell parameters: 10.201; 10.201; 9.996; 90; 90; 90;

COD ID: 1524010
CIF file	Formula: - O7 Sr2 V2 - Comments: Baglio, J.A.; Dann, J.N. The crystal structure of beta strontium pyrovanadate Journal of Solid State Chemistry 4 (1972) 87-93 Space group: P 41 Cell volume: 1276.18 Cell parameters: 7.055; 7.055; 25.64; 90; 90; 90;

COD ID: 1526078
CIF file	Formula: - La2 O7 Si2 - Comments: Mueller-Bunz, H.; Schleid, T. Ueber den H- und A-Typ von La2 (Si2 O7) Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 2549-2556 Space group: P 41 Cell volume: 1156.71 Cell parameters: 6.8383; 6.8383; 24.736; 90; 90; 90;

COD ID: 1527622
CIF file	Formula: - Cl5 Pb Tl3 - Comments: Keller, H.L. Zur Kristallstruktur von Tl3 Pb Cl5 Zeitschrift fuer Anorganische und Allgemeine Chemie 432 (1977) 141-146 Space group: P 41 Cell volume: 1064.25 Cell parameters: 8.448; 8.448; 14.912; 90; 90; 90;

COD ID: 1528083
CIF file	Formula: - O7 Si2 Sm2 - Comments: Smolin, Yu.I.; Shepelev, Yu.F.; Butikova, I.K. The crystal structure of the low-temperature form of samarium pyrosilicate, Sm2 Si2 O7 Kristallografiya 15 (1970) 256-261 Space group: P 41 Cell volume: 1093.68 Cell parameters: 6.695; 6.695; 24.4; 90; 90; 90;

COD ID: 1530141
CIF file	Formula: - Br5 Pb Tl3 - Comments: Keller, H.L. Darstellung und Kristallstruktur von hoch-Tl3 Pb Br5 Journal of the Less-Common Metals 78 (1981) 281-286 Space group: P 41 Cell volume: 1227.47 Cell parameters: 8.903; 8.903; 15.486; 90; 90; 90;

COD ID: 1533732
CIF file	Formula: - H3 K4 Li O16 S4 - Comments: Haznar, A.; Pietraszko, A. Temperature behaviour of the protonic conductor K4 Li H3 (S O4)4 Journal of Solid State Chemistry 177 (2004) 2150-2157 Space group: P 41 Cell volume: 1569.85 Cell parameters: 7.397; 7.397; 28.691; 90; 90; 90;

COD ID: 1533809

Formula: - Ca0.01 Ce0.87 Dy0.01 Gd0.06 La0.41 Nd0.35 O7 Pr0.09 Si2 Sm0.07 Y0.12 -
Comments: Holtstam, D.; Norrestam, R.; Andersson, U.B. Percleveite-(Ce) - a new lanthanide disilicate mineral from Bastnas, Skinnskatterberg, Sweden European Journal of Mineralogy (1,1989-) 15 (2003) 725-731
Space group: P 41
Cell volume: 1135.08
Cell parameters: 6.7805; 6.7805; 24.689; 90; 90; 90;

COD ID: 1535601
CIF file	Formula: - H3 Li O16 Rb4 Se4 - Comments: Troyanov, S.I.; Ling, C.D.; Snigireva, E.M. X-ray and neutron diffraction studies of Rb4 Li H3 (X O4)4 (X = S, Se) single crystals Kristallografiya 49 (2004) 1066-1072 Space group: P 41 Cell volume: 1844.27 Cell parameters: 7.818; 7.818; 30.174; 90; 90; 90;

COD ID: 1535604
CIF file	Formula: - H3 Li O16 Rb4 S4 - Comments: Troyanov, S.I.; Snigireva, E.M.; Ling, C.D. X-ray and neutron diffraction studies of Rb4 Li H3 (X O4)4 (X = S, Se) single crystals Kristallografiya 49 (2004) 1066-1072 Space group: P 41 Cell volume: 1718.12 Cell parameters: 7.6316; 7.6316; 29.5; 90; 90; 90;

COD ID: 1535786
CIF file	Formula: - Ca0.42 O7 Sr1.58 V2 - Comments: Murashova, E.V.; Velikodnyi, Yu.A.; Ilyukhin, A.B.; Zhuravlev, V.D. Crystal structures of Sr1.58Ca0.42V2O7 and Sr1.5Cd0.5V2O7 and the features of their isomorphism Zhurnal Neorganicheskoi Khimii 38 (1993) 428-431 Space group: P 41 Cell volume: 1252.15 Cell parameters: 7.007; 7.007; 25.503; 90; 90; 90;

COD ID: 1536922
CIF file	Formula: - H11 O9 P V - Comments: Zakharova, B.S.; Chudinova, N.N.; Ilyukhin, A.B. Synthesis and crystal structure of vanadyl phosphite (V O (H P O3) (H2 O)2)n .3n(H2 O) Zhurnal Neorganicheskoi Khimii 39 (1994) 1443-1445 Space group: P 41 Cell volume: 830.263 Cell parameters: 11.431; 11.431; 6.354; 90; 90; 90;

COD ID: 1541242

Formula: - Cl Co F2 H12 N4 O4 -
Comments: Mitsutsuka, Yoshihiro; Aoyama, Tomonori; Ohba, Shigeru; Saito, Yoshihiko; Kaneuchi, Fumiko; Tsuboi, Masamichi Structure and polarized spectra of cis-difluorotetraamminecobalt(III) perchlorate, cis-[CoF~2~(NH~3~)~4~]ClO~4~ Bulletin of the Chemical Society of Japan 64(6) (1991) 1743-1749
Space group: P 41
Cell volume: 858.088
Cell parameters: 7.2645; 7.2645; 16.26; 90; 90; 90;

COD ID: 1543111

Formula: - C19 H22 N2 O -
Comments: Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution. Journal of natural products 79(5) (2016) 1388-1399
Space group: P 41
Cell volume: 1515.7
Cell parameters: 10.1845; 10.1845; 14.613; 90; 90; 90;

COD ID: 1543577

Formula: - C33 H35 Fe N P2 -
Comments: Chen, Caiyou; Wang, Heng; Zhang, Zhefan; Jin, Shicheng; Wen, Songwei; Ji, Jianjian; Chung, Lung Wa; Dong, Xiu-Qin; Zhang, Xumu Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via noncovalent ion pair interaction Chem. Sci. 7(11) (2016) 6669
Space group: P 41
Cell volume: 2926.6
Cell parameters: 10.0629; 10.0629; 28.901; 90; 90; 90;

COD ID: 1544489

Formula: - C19 H32 O10 -
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 41
Cell volume: 2149.36
Cell parameters: 10.2307; 10.2307; 20.5352; 90; 90; 90;

COD ID: 1545687
CIF file	Formula: - C23 H20 Br2 N2 Ni O2 - Comments: Suzuki, Naoyuki; Hofstra, Julie L.; Poremba, Kelsey E.; Reisman, Sarah E. Nickel-Catalyzed Enantioselective Cross-Coupling of N-Hydroxyphthalimide Esters with Vinyl Bromides. Organic letters 19(8) (2017) 2150-2153 Space group: P 41 Cell volume: 2195.5 Cell parameters: 9.4823; 9.4823; 24.418; 90; 90; 90;

COD ID: 1547385
CIF file	Formula: - C32 H25 Au Cl Fe P - Comments: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology 3 (2013) 3007-3012 Space group: P 41 Cell volume: 2612 Cell parameters: 13.2861; 13.2861; 14.7974; 90; 90; 90;

COD ID: 1547995

Formula: - C48 H91 Cl12 N12 O4 -
Comments: Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper Three-dimensional protonic conductivity in porous organic cage solids Nature Communications 7 (2016) 12750
Space group: P 41
Cell volume: 13099.5
Cell parameters: 20.2276; 20.2276; 32.016; 90; 90; 90;

COD ID: 1548196

Formula: - C41.5 H31 F12 N7 P2 Ru -
Comments: Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications 7 (2016) 10487
Space group: P 41
Cell volume: 8217.88
Cell parameters: 25.5619; 25.5619; 12.5769; 90; 90; 90;

COD ID: 1548474
CIF file	Formula: - C21 H25 N O3 - Comments: Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications 6 (2015) 6903 Space group: P 41 Cell volume: 1815.86 Cell parameters: 9.5905; 9.5905; 19.7424; 90; 90; 90;

COD ID: 1550339
CIF file	Formula: - C34 H28 F12 Fe N8 P2 - Comments: Carey, Monica C.; Adelman, Sara L.; McCusker, James K. Insights into the excited state dynamics of Fe(ii) polypyridyl complexes from variable-temperature ultrafast spectroscopy Chemical Science (2019) Space group: P 41 Cell volume: 7454.8 Cell parameters: 12.3462; 12.3462; 48.9067; 90; 90; 90;

COD ID: 1552702

Formula: - C15 H16 O3 -
Comments: Shi, Xiao-Shan; Meng, Ling-Hong; Li, Xiao-Ming; Li, Xin; Wang, Dun-Jia; Li, Hong-Lei; Zhou, Xing-Wang; Wang, Bin-Gui Trichocadinins B-G: Antimicrobial Cadinane Sesquiterpenes from Trichoderma virens QA-8, an Endophytic Fungus Obtained from the Medicinal Plant Artemisia argyi. Journal of natural products 82(9) (2019) 2470-2476
Space group: P 41
Cell volume: 10397.8
Cell parameters: 17.155; 17.155; 35.3313; 90; 90; 90;

COD ID: 1553135
CIF file	Formula: - C11 H12 N2 O7 S - Comments: Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application Organic Chemistry Frontiers 2(8) (2015) 890 Space group: P 41 Cell volume: 1414.05 Cell parameters: 15.41418; 15.41418; 5.95145; 90; 90; 90;

COD ID: 1553570

Formula: - C25 H23 N O3 -
Comments: Xu, Meng-Meng; Wang, Hai-Qing; Wan, Ying; He, Guofeng; Yan, Jingjing; Zhang, Shu; Wang, Shu-Liang; Shi, Feng Catalytic asymmetric substitution of ortho-hydroxybenzyl alcohols with tetronic acid-derived enamines: enantioselective synthesis of tetronic acid-derived diarylmethanes Organic Chemistry Frontiers 4(3) (2017) 358
Space group: P 41
Cell volume: 2073.13
Cell parameters: 8.4091; 8.4091; 29.3175; 90; 90; 90;

COD ID: 1555228
CIF file	Formula: - C6 H13 N O3 - Comments: Chung, Ryan; Hein, Jason E. Automated solubility and crystallization analysis of non-UV active compounds: integration of evaporative light scattering detection (ELSD) and robotic sampling Reaction Chemistry & Engineering 4(9) (2019) 1674 Space group: P 41 Cell volume: 1613.1 Cell parameters: 8.8749; 8.8749; 20.4808; 90; 90; 90;

COD ID: 1557183

Formula: - C26 H28 N4 O5 -
Comments: Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry (2020)
Space group: P 41
Cell volume: 2372.2
Cell parameters: 11.7728; 11.7728; 17.1159; 90; 90; 90;

COD ID: 1557305

Formula: - C21 H20 Br N O4 S -
Comments: Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal (3S,5R,6S)-Diphenylmethyl 1-oxo-6-bromopenicillanate IUCrData 5(2) (2020) x200143
Space group: P 41
Cell volume: 2021.5
Cell parameters: 11.076; 11.076; 16.478; 90; 90; 90;

COD ID: 1557312

Formula: - C12 H14 Cl6 O5 -
Comments: Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan Sigillins from Springtails Are Potent Natural Insecticides. Journal of natural products 83(2) (2020) 468-472
Space group: P 41
Cell volume: 1681
Cell parameters: 8.98338; 8.98338; 20.8299; 90; 90; 90;

COD ID: 1557705
CIF file	Formula: - C37 H46 O13 - Comments: Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis. Journal of natural products 83(4) (2020) 1005-1017 Space group: P 41 Cell volume: 3716.74 Cell parameters: 9.3231; 9.3231; 42.7604; 90; 90; 90;

COD ID: 1558052
CIF file	Formula: - C15 H12 N4 - Comments: Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu Metaelectric multiphase transitions in a highly polarizable molecular crystal. Chemical science 11(24) (2020) 6183-6192 Space group: P 41 Cell volume: 5186.9 Cell parameters: 18.2293; 18.2293; 15.6088; 90; 90; 90;

COD ID: 1560413
CIF file	Formula: - C24 H16 Gd N3 O9 Zn - Comments: Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties Journal of Solid State Chemistry 253 (2017) 360-366 Space group: P 41 Cell volume: 2273.2 Cell parameters: 12.2428; 12.2428; 15.1663; 90; 90; 90;

COD ID: 1560414
CIF file	Formula: - C24 H16 Dy N3 O9 Zn - Comments: Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties Journal of Solid State Chemistry 253 (2017) 360-366 Space group: P 41 Cell volume: 2249.2 Cell parameters: 12.2203; 12.2203; 15.0611; 90; 90; 90;

COD ID: 1560418
CIF file	Formula: - C24 H16 N3 O9 Yb Zn - Comments: Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties Journal of Solid State Chemistry 253 (2017) 360-366 Space group: P 41 Cell volume: 2224.2 Cell parameters: 12.1961; 12.1961; 14.9534; 90; 90; 90;

COD ID: 1560419
CIF file	Formula: - C22 H14 Lu N5 O9 Zn - Comments: Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties Journal of Solid State Chemistry 253 (2017) 360-366 Space group: P 41 Cell volume: 2240.4 Cell parameters: 12.207; 12.207; 15.0352; 90; 90; 90;

COD ID: 1564044

Formula: - C13 H19 N2 Na O4 -
Comments: Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour Inorganica Chimica Acta 513 (2020) 119923
Space group: P 41
Cell volume: 1454.6
Cell parameters: 10.7327; 10.7327; 12.6277; 90; 90; 90;

COD ID: 1564045

Formula: - C13 H23 N3 O4 -
Comments: Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour Inorganica Chimica Acta 513 (2020) 119923
Space group: P 41
Cell volume: 1557.99
Cell parameters: 11.1542; 11.1542; 12.5224; 90; 90; 90;

COD ID: 1566579

Formula: - C14 H22 O -
Comments: Pan, Aaron; Chojnacka, Maja; Crowley, Robert; Göttemann, Lucas; Haines, Brandon E.; Kou, Kevin G. M. Synergistic Brønsted/Lewis acid catalyzed aromatic alkylation with unactivated tertiary alcohols or di-tert-butylperoxide to synthesize quaternary carbon centers Chemical Science (2022)
Space group: P 41
Cell volume: 1276.78
Cell parameters: 10.0087; 10.0087; 12.7456; 90; 90; 90;

COD ID: 1566692
CIF file	Formula: - C15 H19 B F2 N4 - Comments: Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung A molecular recognition platform for the simultaneous sensing of diverse chemical weapons Chemical Science (2022) Space group: P 41 Cell volume: 1496.9 Cell parameters: 10.5675; 10.5675; 13.404; 90; 90; 90;

COD ID: 1568585
CIF file	Formula: - C69 H61 Cl9 Cu N3 O3 P2 - Comments: Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency Catalysts 13(2) (2023) 386 Space group: P 41 Cell volume: 7053.2 Cell parameters: 13.2253; 13.2253; 40.325; 90; 90; 90;

COD ID: 2000623
CIF file Original IUCr paper	Formula: - C3 H5 N3 O5 - Comments: Gilardi, R.; George, C.; Flippen-Anderson, J. L. Structure of 3-nitrato-1-nitroazetidine Acta Crystallographica Section C 48(9) (1992) 1679-1680 Space group: P 41 Cell volume: 651.9 Cell parameters: 10.646; 10.646; 5.752; 90; 90; 90;

COD ID: 2001132
CIF file Original IUCr paper	Formula: - Ca2 O7 P2 - Comments: Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B. Redetermination of the β-Ca~2~P~2~O~7~ structure Acta Crystallographica Section C 49(12) (1993) 2062-2064 Space group: P 41 Cell volume: 1079.4 Cell parameters: 6.6858; 6.6858; 24.147; 90; 90; 90;

COD ID: 2001279

Formula: - C15 H23 N2 O2 -
Comments: Olszak, T. A.; Grabowski, M. J.; Gwoździński, K. Piperidine nitroxide radicals with heterocyclic ring substituents. I. Structure of 4-hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl)piperidine 1-oxide Acta Crystallographica Section C 49(10) (1993) 1722-1723
Space group: P 41
Cell volume: 1488.7
Cell parameters: 8.4561; 8.4561; 20.82; 90; 90; 90;

COD ID: 2003718
CIF file Original IUCr paper	Formula: - C24 H35 N O7 S - Comments: Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C. Two Methyl-Substituted Carbapenem Antibiotic Precursors Acta Crystallographica Section C 51(7) (1995) 1306-1310 Space group: P 41 Cell volume: 2571 Cell parameters: 10.136; 10.136; 25.026; 90; 90; 90;

COD ID: 2004154

Formula: - C14 H18 O4 -
Comments: Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C. 1,6-Anhydro-4-O-benzyl-3-deoxy-2-O-methyl-β-D-ribo-hexopyranose and 1,6-Anhydro-4-O-benzyl-2-C-(2-cyanoethyl)-2,3-dideoxy-β-D-ribo-hexopyranose Acta Crystallographica Section C 51(11) (1995) 2418-2421
Space group: P 41
Cell volume: 1263.1
Cell parameters: 8.535; 8.535; 17.339; 90; 90; 90;

COD ID: 2005181
CIF file Original IUCr paper	Formula: - C16 H26 O7 - Comments: Linden, A.; Lee, C. K.; Siew, K. F. 3-Deoxy-3-<i>C</i>-ethoxycarbonylmethyl-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose at 173K Acta Crystallographica Section C 52(7) (1996) 1797-1799 Space group: P 41 Cell volume: 1760.9 Cell parameters: 10.903; 10.903; 14.813; 90; 90; 90;

COD ID: 2005974
CIF file Original IUCr paper	Formula: - C10 H14 O3 - Comments: Lalancette, R. A.; Coté, M. L.; Thompson, H. W. Hydrogen-Bonding Pattern of a Bicyclic γ-Keto Acid: ({-})-<i>anti</i>-Isoketopinic Acid Acta Crystallographica Section C 53(3) (1997) 370-372 Space group: P 41 Cell volume: 947.4 Cell parameters: 7.908; 7.908; 15.15; 90; 90; 90;

COD ID: 2006665

Formula: - C48 H44 B F4 P2 Rh -
Comments: Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James [(1,2,5,6-η)-1,5-Cyclooctadiene][(11R,12R)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-P)]rhodium(I) Tetrafluoroborate Acta Crystallographica Section C 53(11) (1997) 1577-1579
Space group: P 41
Cell volume: 4102.05
Cell parameters: 10.158; 10.158; 39.7543; 90; 90; 90;

COD ID: 2007070

Formula: - C22 H27 N O3 -
Comments: Chiaroni, Angèle; Riche, Claude; Dumas Franc̨oise; Mauduit, Marc; Miet, Christine 6-Allyl-8,8-dimethyl-3-oxo-2-(1-phenylethyl)-2-azabicyclo[4.3.0]non-1(9)-ene-5-carboxylic Acid, a Key Compound in the Asymmetric Synthesis of Quadrone Acta Crystallographica Section C 54(3) (1998) 401-403
Space group: P 41
Cell volume: 2054
Cell parameters: 13.154; 13.154; 11.869; 90; 90; 90;

COD ID: 2008103
CIF file Original IUCr paper	Formula: - C34 H28 F12 N8 P2 Ru - Comments: Kianosh Lashgari; Mikael Kritikos; Rolf Norrestam; Thomas Norrby Bis(terpyridine)ruthenium(II) bis(hexafluorophosphate) diacetonitrile solvate Acta Crystallographica Section C 55(1) (1999) 64-67 Space group: P 41 Cell volume: 7544.4 Cell parameters: 12.3698; 12.3698; 49.306; 90; 90; 90;

COD ID: 2008346

Formula: - C9 H10 F2 N2 O5 -
Comments: Hempel, Andrew; Camerman, Norman; Grierson, John; Mastropaolo, Donald; Camerman, Arthur FF-β-D-Arabinofuranosyluracil Acta Crystallographica Section C 55(4) (1999) 632-633
Space group: P 41
Cell volume: 1036.6
Cell parameters: 9.975; 9.975; 10.418; 90; 90; 90;

COD ID: 2011262

Formula: - C15 H21 Br Cl N O -
Comments: Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui (+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide and (+)-(2R,3S)-3-bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide Acta Crystallographica Section C 56(8) (2000) e354-e355
Space group: P 41
Cell volume: 1681.9
Cell parameters: 8.8863; 8.8863; 21.299; 90; 90; 90;

COD ID: 2011282

Formula: - C41 H48 Br N O4 -
Comments: Schneider, Monica; Linden, Anthony; Rippert, Andreas, J. (M)- and (P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide solvates Acta Crystallographica Section C 56(8) (2000) 1004-1006
Space group: P 41
Cell volume: 3643.8
Cell parameters: 16.2515; 16.2515; 13.7964; 90; 90; 90;

COD ID: 2011464

Formula: - C13 H17 N3 O4 -
Comments: Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate Acta Crystallographica Section C 56(10) (2000) e469-e471
Space group: P 41
Cell volume: 1351.3
Cell parameters: 16.128; 16.128; 5.195; 90; 90; 90;

COD ID: 2012724

Formula: - C40 H44 Cu2 N4 O4 -
Comments: Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko Enantiomeric bis(μ-N,N'-hexamethylenedisalicylaldiminato)dicopper(II) complexes Acta Crystallographica Section C 58(5) (2002) m313-m315
Space group: P 41
Cell volume: 3648.38
Cell parameters: 13.2963; 13.2963; 20.6366; 90; 90; 90;

COD ID: 2014393
CIF file Original IUCr paper	Formula: - C4 H6 Cl3 N O4 - Comments: Rodrigues, V. H.; Matos Beja, A.; Paixão, J. A.; Costa, M. M. R. R. Glycinium trichloroacetate Acta Crystallographica Section C 62(2) (2006) o71-o72 Space group: P 41 Cell volume: 1801.9 Cell parameters: 9.4416; 9.4416; 20.213; 90; 90; 90;

COD ID: 2016123

Formula: - C19 H18 N2 O7 S -
Comments: Zhang, Jing; Zhu, Long-Guan Different supramolecular assemblies in two 1:1 proton-transfer compounds of sulfobenzoic acids with aromatic amines Acta Crystallographica Section C 63(8) (2007) o484-o486
Space group: P 41
Cell volume: 1865.1
Cell parameters: 7.1807; 7.1807; 36.171; 90; 90; 90;

COD ID: 2016285

Formula: - In0.459 K0.917 Nb0.541 O5 P -
Comments: Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Domasevitch, Konstantin V. The complex phosphate K~0.92~In~0.46~Nb~0.54~OPO~4~: a new representative of the KTiOPO~4~ family Acta Crystallographica Section C 63(11) (2007) i105-i108
Space group: P 41
Cell volume: 951.03
Cell parameters: 9.3091; 9.3091; 10.9744; 90; 90; 90;

COD ID: 2016470

Formula: - C12 H21 N O3 -
Comments: Foces-Foces, C.; López-Rodríguez, M.; Pérez, C. A case of concomitant polymorphism and spontaneous resolution: the tetragonal phase of 5-hydroxymethyl-7,7,N-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide Acta Crystallographica Section C 64(2) (2008) o95-o97
Space group: P 41
Cell volume: 1195.6
Cell parameters: 8.2616; 8.2616; 17.517; 90; 90; 90;

COD ID: 2020422

Formula: - C14 H15 N5 O3 -
Comments: Fischer, Franziska; Schmidt, Martin U.; Greiser, Sebastian; Emmerling, Franziska The challenging case of the theophylline‒benzamide cocrystal Acta Crystallographica Section C 72(3) (2016) 217-224
Space group: P 41
Cell volume: 2765.19
Cell parameters: 10.281404; 10.281404; 26.15892; 90; 90; 90;

COD ID: 2100298

Formula: - C10 H24 Co N2 O13 -
Comments: Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt Three modulation patterns in four related [M(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures Acta Crystallographica Section B 61(6) (2005) 675-688
Space group: P 41
Cell volume: 3556.7
Cell parameters: 11.425; 11.425; 27.248; 90; 90; 90;

COD ID: 2100299

Formula: - C10 H24 Co N2 O13 -
Comments: Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt Three modulation patterns in four related [M(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures Acta Crystallographica Section B 61(6) (2005) 675-688
Space group: P 41
Cell volume: 3456.5
Cell parameters: 11.306; 11.306; 27.041; 90; 90; 90;

COD ID: 2100522

Formula: - C6 D7 N O -
Comments: Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F. Synchrotron and neutron diffraction study of 4-methylpyridine-N-oxide at low temperature Acta Crystallographica Section B 62(4) (2006) 627-633
Space group: P 41
Cell volume: 4673.6
Cell parameters: 15.41038; 15.41038; 19.68; 90; 90; 90;

COD ID: 2102240

Formula: - C16 H28 N2 O4 S2 -
Comments: Kojić-Prodić, Biserka; Perić, Berislav; Zoran Štefanić; Anton Meden; Makarević, Janja; Jokić, Milan; Žinić, Mladen Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (S,S)-N,N'-monothiooxalyldileucine methyl ester and its dithio analogue Acta Crystallographica Section B 60(1) (2004) 90-96
Space group: P 41
Cell volume: 2072.66
Cell parameters: 11.3877; 11.3877; 15.9829; 90; 90; 90;

COD ID: 2103329

Formula: - C9 H12 O -
Comments: Wójcik, Grażyna; Holband, Jolanta Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results Acta Crystallographica Section B 58(4) (2002) 684-689
Space group: P 41
Cell volume: 793.3
Cell parameters: 9.848; 9.864; 8.166; 90; 90; 90;

COD ID: 2103330

Formula: - C9 H12 O -
Comments: Wójcik, Grażyna; Holband, Jolanta Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results Acta Crystallographica Section B 58(4) (2002) 684-689
Space group: P 41
Cell volume: 799.6
Cell parameters: 9.859; 9.865; 8.221; 90; 90; 90;

COD ID: 2103331

Formula: - C9 H12 O -
Comments: Wójcik, Grażyna; Holband, Jolanta Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results Acta Crystallographica Section B 58(4) (2002) 684-689
Space group: P 41
Cell volume: 820.16
Cell parameters: 9.928; 9.934; 8.316; 90; 90; 90;

COD ID: 2104368

Formula: - C18 H24 N5 O2 P3 S2 -
Comments: Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes via chiral high-performance liquid chromatography Acta Crystallographica Section B 65(3) (2009) 355-362
Space group: P 41
Cell volume: 2216.95
Cell parameters: 11.4912; 11.4912; 16.789; 90; 90; 90;

COD ID: 2200282

Formula: - C24 H37 N3 O8 -
Comments: Geßmann, Renate; Brückner, Hans; Kokkinidis, Michael Tripeptide Z‒Aib‒Aib‒Hyp‒OMe Acta Crystallographica Section E 57(6) (2001) o492-o494
Space group: P 41
Cell volume: 2688
Cell parameters: 11.698; 11.698; 19.643; 90; 90; 90;

COD ID: 2202695

Formula: - C14 H20 Cl3 N O6 -
Comments: Ohba, Shigeru; Sato, Hideyuki; Iida, Masatoshi; Chida, Noritaka (+)-Methyl (4R,5S)-4-[(R)-1-hydroxybut-3-enyl]-5-2,2-dimethyl-trichloroacetamido-1,3-dioxane-5-carboxylate Acta Crystallographica Section E 59(9) (2003) o1259-o1260
Space group: P 41
Cell volume: 1920.3
Cell parameters: 9.1926; 9.1926; 22.724; 90; 90; 90;

COD ID: 2204482

Formula: - C15 H15 N3 O4 -
Comments: Shang Shan; Wei-Xiao Hu; Duan-Jun Xu 3,4-Dimethoxybenzaldehyde 4-nitrophenylhydrazone Acta Crystallographica Section E 60(11) (2004) o2059-o2061
Space group: P 41
Cell volume: 1467
Cell parameters: 7.7618; 7.7618; 24.35; 90; 90; 90;

COD ID: 2205827

Formula: - Ce4 O14 Si4 -
Comments: Bin Deng; James A. Ibers Dicerium disilicate, Ce~2~[Si~2~O~7~] Acta Crystallographica Section E 61(5) (2005) i76-i78
Space group: P 41
Cell volume: 1142.22
Cell parameters: 6.7964; 6.7964; 24.7282; 90; 90; 90;

COD ID: 2206287

Formula: - C14 H30 O4 Si -
Comments: Fan, Hong-Tao; Schürmann, Markus; Preut, Hans; Krause, Norbert (2S,3R,4R,5R)-2-(tert-Butyldimethylsilyloxymethyl)-2,4,5-trimethyltetrahydrofuran-3,4-diol Acta Crystallographica Section E 61(7) (2005) o1987-o1988
Space group: P 41
Cell volume: 1706.6
Cell parameters: 12.3616; 12.3616; 11.1685; 90; 90; 90;

COD ID: 2208534
CIF file Original IUCr paper	Formula: - C16 H18 In N3 O10 - Comments: Rong-Chang Zhang; Chun-Hui Yu An indium(III) complex with pyridine-2,6-dicarboxylate Acta Crystallographica Section E 62(4) (2006) m807-m809 Space group: P 41 Cell volume: 1873.2 Cell parameters: 9.7681; 9.7681; 19.632; 90; 90; 90;

COD ID: 2208557

Formula: - C14 H19 Cu N5 S2 -
Comments: You, Zhong-Lu; Wang, Jia; Han, Xiao [N,N-Diethyl-N'-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatocopper(II) Acta Crystallographica Section E 62(4) (2006) m860-m861
Space group: P 41
Cell volume: 1784.9
Cell parameters: 7.294; 7.294; 33.549; 90; 90; 90;

COD ID: 2209459

Formula: - C14 H14 N4 O2 S2 -
Comments: Tatiana N. Drebushchak; Mikhail A. Mikhailenko; Elena V. Boldyreva; Tatyana P. Shakhtshneider Tetragonal polymorph of the 1:1 adduct of sulfathiazole with pyridine Acta Crystallographica Section E 62(7) (2006) o2669-o2671
Space group: P 41
Cell volume: 1573.1
Cell parameters: 8.67; 8.67; 20.927; 90; 90; 90;

COD ID: 2209551

Formula: - C28 H42 O2 -
Comments: Jin-Long Wu (aR,1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (4-tert-butylcyclohexylidene)acetate Acta Crystallographica Section E 62(7) (2006) o2967-o2968
Space group: P 41
Cell volume: 2564.6
Cell parameters: 11.909; 11.909; 18.083; 90; 90; 90;

COD ID: 2211281

Formula: - C29 H26 N4 O5 S -
Comments: Liu, Hui; Wang, Hong-Qing; Liu, Zhao-Jie Ethyl {4-[5-(3-methylphenyl)-3-methylsulfanyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-6-yloxy]phenoxy}acetate Acta Crystallographica Section E 62(12) (2006) o5459-o5461
Space group: P 41
Cell volume: 2771
Cell parameters: 14.1908; 14.1908; 13.76; 90; 90; 90;

COD ID: 2212368

Formula: - C13 H20 O7 -
Comments: Michela Simone; George W. J. Fleet; David J. Watkin 3,3':5,6-Di-O-isopropylidene-3-C-hydroxymethyl-D-allono-1,4-lactone: an organic structure containing large unoccupied voids Acta Crystallographica Section E 63(2) (2007) o799-o801
Space group: P 41
Cell volume: 1846.62
Cell parameters: 14.1641; 14.1641; 9.2045; 90; 90; 90;

COD ID: 2213796

Formula: - C70 H44 Cl8 D2 N2 O4 P2 Pd -
Comments: Alexander Briceño; Romano Dorta cis-Dichloridobis{[(S)-N-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl]dibenz[b,f]azepin-κP}palladium(II) deuterochloroform disolvate Acta Crystallographica Section E 63(6) (2007) m1718-m1719
Space group: P 41
Cell volume: 6905.3
Cell parameters: 19.866; 19.866; 17.497; 90; 90; 90;

COD ID: 2214084

Formula: - C10 H20 O5 -
Comments: Simon Parsons 15-Crown-5 Acta Crystallographica Section E 63(7) (2007) o3130-o3130
Space group: P 41
Cell volume: 2326
Cell parameters: 8.7954; 8.7954; 30.0676; 90; 90; 90;

COD ID: 2214628

Formula: - C24 H24 N5 O4 P3 -
Comments: Lenka Dastychová; Zdirad Žák; Milan Alberti; Jan Taraba gem-2,2-Diamino-4,4,6,6-tetraphenoxy-1,3,5-cyclotriaza-λ^5^-phosphorine Acta Crystallographica Section E 63(8) (2007) o3500-o3500
Space group: P 41
Cell volume: 2522.5
Cell parameters: 12.9555; 12.9555; 15.029; 90; 90; 90;

COD ID: 2218218

Formula: - C7 H14 Cl N O -
Comments: Siczek, Miłosz; Lis, Tadeusz (R)-({-})-3-Hydroxyquinuclidinium chloride Acta Crystallographica Section E 64(5) (2008) o842
Space group: P 41
Cell volume: 803.6
Cell parameters: 6.655; 6.655; 18.145; 90; 90; 90;

COD ID: 2218674

Formula: - C22 H24 Br2 N4 O4 Zn -
Comments: Lemoine, Pascale; Viossat, Bernard; Brion, Jean Daniel; Bekaert, Alain Dibromidobis(4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone)zinc(II) Acta Crystallographica Section E 64(7) (2008) m891-m892
Space group: P 41
Cell volume: 2520.9
Cell parameters: 9.824; 9.824; 26.12; 90; 90; 90;

COD ID: 2223345

Formula: - C15 H25 N O3 S -
Comments: Zhou, Wei; Zhang, Shijie; Hu, Weixiao (R)-({-})-N-Isovalerylcamphorsultam Acta Crystallographica Section E 65(10) (2009) o2371
Space group: P 41
Cell volume: 3137.7
Cell parameters: 7.9038; 7.9038; 50.228; 90; 90; 90;

COD ID: 2223701

Formula: - C14 H11 Cl N2 O -
Comments: Fan, Chuan-Gang; Song, Ming-Zhi N'-(2-Chlorobenzylidene)benzohydrazide Acta Crystallographica Section E 65(11) (2009) o2679
Space group: P 41
Cell volume: 2647.2
Cell parameters: 13.5588; 13.5588; 14.3993; 90; 90; 90;

COD ID: 2224179

Formula: - C11 H21 N3 O5 -
Comments: Abbas, Cécile; Jamart Grégoire, Brigitte; Vanderesse, Régis; Didierjean, Claude Boc-AzAla-Ala-OMe Acta Crystallographica Section E 65(12) (2009) o3079
Space group: P 41
Cell volume: 1514.86
Cell parameters: 9.3194; 9.3194; 17.442; 90; 90; 90;

COD ID: 2225167

Formula: - K0.96 Mg0.32 Nb0.68 O5 P -
Comments: Babaryk, Artem A.; Bon, Vladimir; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Pekhnyo, Vasily Reinvestigation of KMg~1/3~Nb~2/3~OPO~4~ Acta Crystallographica Section E 66(3) (2010) i15-i16
Space group: P 41
Cell volume: 461.79
Cell parameters: 6.5261; 6.5261; 10.8427; 90; 90; 90;

COD ID: 2235594

Formula: - C17 H15 N O -
Comments: Zhou, Li; Wang, Chuan-Hu; Zhou, Mi (Z)-3-o-Tolyl-3-(p-tolyloxy)acrylonitrile Acta Crystallographica Section E 68(7) (2012) o2085
Space group: P 41
Cell volume: 1388.6
Cell parameters: 9.8731; 9.8731; 14.2455; 90; 90; 90;

COD ID: 2239399

Formula: - C14.68 H39.35 Cl1.35 F6 Ir N O2 P4 -
Comments: Merola, Joseph S.; Slebodnick, Carla; Berg, Michael; Ritchie, Melissa K. mer-Hydridotris(trimethylphosphane-κP)(D-valinato-κ^2^N,O)iridium hexafluoridophosphate dichloromethane 0.675-solvate Acta Crystallographica Section E 70(3) (2014) m82
Space group: P 41
Cell volume: 2813.9
Cell parameters: 14.04454; 14.04454; 14.2657; 90; 90; 90;

COD ID: 2241867

Formula: - C12 H13 N O8 -
Comments: Hulushe, S. T.; Hosten, E. C.; Watkins, G. M. Dimethylammonium 2,4,5-tricarboxybenzoate: an example of the decarbonylation of N,N-dimethylformamide in the presence of a metal and a benzenepolycarboxylic acid. Is zirconium(IV) the Tsotsi? Acta Crystallographica Section E 72(11) (2016) 1521-1525
Space group: P 41
Cell volume: 2604.1
Cell parameters: 9.6621; 9.6621; 27.894; 90; 90; 90;

COD ID: 2310996
CIF file	Formula: - Cl8 I Sb - Comments: Vonk, C.G.; Wiebenga, E.H. The crystal structure of I Sb Cl8 and I Al Cl6 Acta Crystallographica (1,1948-23,1967) 12 (1959) 859-866 Space group: P 41 Cell volume: 1179.03 Cell parameters: 6.98; 6.98; 24.2; 90; 90; 90;

COD ID: 2311324

Formula: - C9 H15 N3 S -
Comments: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Abdel-Aziz, Ahmed T; Albayati, Mustafa R. Crystal structure of 1-(cyclo-pentyl-idene-amino)-3-(prop-2-en-1-yl)thio-urea. Acta crystallographica. Section E, Crystallographic communications 71(Pt 12) (2015) o924-5
Space group: P 41
Cell volume: 1041.28
Cell parameters: 9.0124; 9.0124; 12.82; 90; 90; 90;

COD ID: 4000713

Formula: - C12 H0 Mn2 N16 Nb O6 -
Comments: Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph Chemistry of Materials 23(1) (2011) 21
Space group: P 41
Cell volume: 2482.8
Cell parameters: 10.45; 10.45; 22.736; 90; 90; 90;

COD ID: 4020259
CIF file	Formula: - C18 H19 Br N4 O8 - Comments: Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy Journal of Organic Chemistry 70 (2005) 4096-4106 Space group: P 41 Cell volume: 2205.2 Cell parameters: 11.7529; 11.7529; 15.9649; 90; 90; 90;

COD ID: 4021972
CIF file	Formula: - C28 H29 Fe N O - Comments: Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes Journal of Organic Chemistry 71 (2006) 7596-7602 Space group: P 41 Cell volume: 2185 Cell parameters: 9.7784; 9.7784; 22.852; 90; 90; 90;

COD ID: 4022172

Formula: - C28 H37 Fe N O3 S2 -
Comments: Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines Journal of Organic Chemistry 71 (2006) 9572-9579
Space group: P 41
Cell volume: 2700.43
Cell parameters: 11.8067; 11.8067; 19.3721; 90; 90; 90;

COD ID: 4022924
CIF file	Formula: - C27 H33 Br O2 - Comments: Douglass F. Taber; M. Inthikhab Sikkander; Pierre H. Storck Enantioselective Synthesis of (+)-Majusculone Journal of Organic Chemistry 72 (2007) 4098-4101 Space group: P 41 Cell volume: 2367.4 Cell parameters: 13.4226; 13.4226; 13.1399; 90; 90; 90;

COD ID: 4024141
CIF file	Formula: - C31 H37 N O2 - Comments: Hideko Koshima; Michitaro Fukano; Hidehiro Uekusa Diastereospecific Photocyclization of a Isopropylbenzophenone Derivative in Crystals and the Morphological Changes Journal of Organic Chemistry 72 (2007) 6786-6791 Space group: P 41 Cell volume: 2839 Cell parameters: 11.125; 11.125; 22.9386; 90; 90; 90;

COD ID: 4024474

Formula: - C22 H18 Cl N O2 S -
Comments: Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups Journal of Organic Chemistry 74 (2009) 3214-3216
Space group: P 41
Cell volume: 1964.09
Cell parameters: 14.1895; 14.1895; 9.755; 90; 90; 90;

COD ID: 4024937
CIF file	Formula: - C20 H28 N2 O2 - Comments: Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates Journal of Organic Chemistry 74 (2009) 7935-7942 Space group: P 41 Cell volume: 3872.58 Cell parameters: 14.6394; 14.6394; 18.0698; 90; 90; 90;

COD ID: 4025408

Formula: - C6 H8 F N O2 -
Comments: Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses Journal of Organic Chemistry 75 (2010) 3443-3446
Space group: P 41
Cell volume: 608.07
Cell parameters: 6.5963; 6.5963; 13.975; 90; 90; 90;

COD ID: 4025662

Formula: - C17 H17 N O -
Comments: Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity Journal of Organic Chemistry 75 (2010) 5984-5993
Space group: P 41
Cell volume: 1352.08
Cell parameters: 10.00744; 10.00744; 13.5007; 90; 90; 90;

COD ID: 4025693
CIF file	Formula: - C6 H8 O4 S - Comments: Thanikachalam Gunasundari; Srinivasan Chandrasekaran Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin Journal of Organic Chemistry 75 (2010) 6685-6688 Space group: P 41 Cell volume: 735.3 Cell parameters: 11.16; 11.16; 5.904; 90; 90; 90;

COD ID: 4027102

Formula: - C86 H64 Cl4 O6 P2 -
Comments: Bunpei Hatano; Kazuyuki Hashimoto; Hiroshi Katagiri; Tatsuro Kijima; Satoshi Murakami; Shigeru Matsuba; Miho Kusakari Enantioresolution of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Oxide Using Inclusion Complex with Chiral 2,2'-Dihydroxy-1,1'-binaphtyl Journal of Organic Chemistry 77 (2012) 3595-3597
Space group: P 41
Cell volume: 6897.7
Cell parameters: 11.2117; 11.2117; 54.8735; 90; 90; 90;

COD ID: 4027575
CIF file	Formula: - C27 H32 O7 - Comments: Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide Journal of Organic Chemistry 77 (2012) 8913-8921 Space group: P 41 Cell volume: 2458.76 Cell parameters: 10.6771; 10.6771; 21.568; 90; 90; 90;

COD ID: 4027605
CIF file	Formula: - C13 H11 F N O S - Comments: Jun Li; Yunfei Cai; Weiliang Chen; Xiaohua Liu; Lili Lin; Xiaoming Feng Highly Enantioselective Fluorination of Unprotected 3-Substituted Oxindoles: One-Step Synthesis of BMS 204352 (MaxiPost) Journal of Organic Chemistry 77 (2012) 9148-9155 Space group: P 41 Cell volume: 1206.63 Cell parameters: 9.0364; 9.0364; 14.7769; 90; 90; 90;

COD ID: 4028234

Formula: - C19 H18 O3 S -
Comments: Guanghu Tong; Bo Zhu; Richmond Lee; Wenguo Yang; Davin Tan; Caiyun Yang; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Zhiyong Jiang Highly Enantio- and Diastereoselective Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Allyl Ketones Journal of Organic Chemistry 78 (2013) 5067-5072
Space group: P 41
Cell volume: 1666.56
Cell parameters: 17.0756; 17.0756; 5.7157; 90; 90; 90;

COD ID: 4029156

Formula: - C20 H18 Cl F N12 -
Comments: Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility. The Journal of organic chemistry 79(5) (2014) 2178-2188
Space group: P 41
Cell volume: 2055.3
Cell parameters: 21.1267; 21.1267; 4.6047; 90; 90; 90;

COD ID: 4029263

Formula: - C15 H23 N O2 S -
Comments: Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source. The Journal of organic chemistry 79(8) (2014) 3715-3724
Space group: P 41
Cell volume: 1541.74
Cell parameters: 10.0361; 10.0361; 15.3067; 90; 90; 90;

COD ID: 4033181
CIF file	Formula: - C20 H33 B N2 O4 S - Comments: Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity. The Journal of organic chemistry 82(23) (2017) 12757-12762 Space group: P 41 Cell volume: 2304.07 Cell parameters: 11.3384; 11.3384; 17.9222; 90; 90; 90;

COD ID: 4034782

Formula: - C20 H19 Cl2 N O2 -
Comments: Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity. The Journal of organic chemistry 83(10) (2018) 5650-5664
Space group: P 41
Cell volume: 1823.33
Cell parameters: 7.52861; 7.52861; 32.1688; 90; 90; 90;

COD ID: 4035247

Formula: - C16 H13 B F3 N3 O S -
Comments: Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties. The Journal of organic chemistry 83(19) (2018) 12129-12142
Space group: P 41
Cell volume: 1573.64
Cell parameters: 7.908; 7.908; 25.1636; 90; 90; 90;

COD ID: 4036138
CIF file	Formula: - C24 H23 Br F3 N O3 - Comments: Wang, Dong-Ling; Liang, Zhi-Qin; Chen, Kun-Quan; Sun, De-Qun; Ye, Song Enantioselective N-heterocyclic carbene-catalyzed synthesis of trifluoromethyldihydropyridinones. The Journal of organic chemistry 80(11) (2015) 5900-5905 Space group: P 41 Cell volume: 2372.6 Cell parameters: 11.971; 11.971; 16.556; 90; 90; 90;

COD ID: 4036841

Formula: - C20 H20 F2 N2 O3 -
Comments: Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones. The Journal of organic chemistry 81(12) (2016) 5101-5119
Space group: P 41
Cell volume: 1923
Cell parameters: 10.32; 10.32; 18.06; 90; 90; 90;

COD ID: 4038059

Formula: - C29 H30 Fe N O P -
Comments: Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis. The Journal of organic chemistry (2020)
Space group: P 41
Cell volume: 2448.53
Cell parameters: 8.22498; 8.22498; 36.194; 90; 90; 90;

COD ID: 4061835
CIF file	Formula: - C42 H49 Cl O5 P Rh - Comments: Selent, Detlef; Baumann, Wolfgang; Kempe, Rhett; Spannenberg, Anke; Röttger, Dirk; Wiese, Klaus-Diether; Börner, Armin Reactions of a Hydroxy Phosphonite Ligand in the Coordination Sphere of Rhodium(I) Organometallics 22(21) (2003) 4265-4271 Space group: P 41 Cell volume: 3742.7 Cell parameters: 10.831; 10.831; 31.904; 90; 90; 90;

COD ID: 4062451
CIF file	Formula: - C28 H38 N6 Ti - Comments: Coles, Martyn P.; Hitchcock, Peter B. Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium Organometallics 22(25) (2003) 5201-5211 Space group: P 41 Cell volume: 2640.17 Cell parameters: 9.3107; 9.3107; 30.4556; 90; 90; 90;

COD ID: 4065639
CIF file	Formula: - C26 H28 O9 Ru Si - Comments: Yamamoto, Yoshihiko; Yamashita, Ken; Nakamura, Mitsutaka Synthesis of Organometallic Analogues of SpirocyclicC-Arylribosides Organometallics 29(6) (2010) 1472 Space group: P 41 Cell volume: 2764.4 Cell parameters: 8.3891; 8.3891; 39.28; 90; 90; 90;

COD ID: 4067478
CIF file	Formula: - C36 H50 Au Cl P2 Zr2 - Comments: Büschel, Susanne; Daniliuc, Constantin; Jones, Peter G.; Tamm, Matthias Ambiphilic Reactivity of a Phosphane-Functionalized Cycloheptatrienyl−Cyclopentadienyl Zirconium Sandwich Complex Organometallics 29(3) (2010) 671 Space group: P 41 Cell volume: 3547.9 Cell parameters: 11.2225; 11.2225; 28.17; 90; 90; 90;

COD ID: 4069487

Formula: - C33 H41 Fe N3 O2 Si2 -
Comments: Tondreau, Aaron M.; Darmon, Jonathan M.; Wile, Bradley M.; Floyd, Sarah K.; Lobkovsky, Emil; Chirik, Paul J. Enantiopure Pyridine Bis(oxazoline) “Pybox” and Bis(oxazoline) “Box” Iron Dialkyl Complexes: Comparison to Bis(imino)pyridine Compounds and Application to Catalytic Hydrosilylation of Ketones Organometallics 28(13) (2009) 3928
Space group: P 41
Cell volume: 4427.6
Cell parameters: 19.213; 19.213; 11.9944; 90; 90; 90;

COD ID: 4072866

Formula: - C74 H60 Cu2 P2 Pt2 -
Comments: Casas, José M.; Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta New Mono- and Polynuclear Alkynyl Complexes Containing Phenylacetylide as Terminal or Bridging Ligand. X-ray Structures of the Compounds NBu4[Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2], [Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)(CO)], [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(μ-C⋮CPh)}2], and [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2Cu}2] Organometallics 26(7) (2007) 1674
Space group: P 41
Cell volume: 6020
Cell parameters: 12.329; 12.329; 39.604; 90; 90; 90;

COD ID: 4075429

Formula: - C39 H44 Cl2 Cu F6 N4 O2 P -
Comments: Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology Organometallics 25(18) (2006) 4341
Space group: P 41
Cell volume: 3979.1
Cell parameters: 10.6787; 10.6787; 34.894; 90; 90; 90;

COD ID: 4076317
CIF file	Formula: - C38 H18 Co4 O12 - Comments: Melikyan, Gagik G.; Rivas, Bianca; Harutyunyan, Stepan; Carlson, Louis; Sepanian, Ruth Cobaltocene-Induced Low-Temperature Radical Coupling Reactions in a Cobalt‒Alkyne Series Organometallics 31(5) (2012) 1653 Space group: P 41 Cell volume: 3592.5 Cell parameters: 11.3; 11.3; 28.1345; 90; 90; 90;

COD ID: 4084164

Formula: - C16 H25 N O2 Sn -
Comments: Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer Organometallics 33(15) (2014) 3924
Space group: P 41
Cell volume: 1859.1
Cell parameters: 10.1368; 10.1368; 18.0925; 90; 90; 90;

COD ID: 4084171

Formula: - C15 H22 Br N O2 Sn -
Comments: Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer Organometallics 33(15) (2014) 3924
Space group: P 41
Cell volume: 1804.57
Cell parameters: 10.0506; 10.0506; 17.8645; 90; 90; 90;

COD ID: 4100229
CIF file	Formula: - C28 H30 Br Cl6 S16 - Comments: Michio M. Matsushita; Tadashi Sugawara Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt Journal of the American Chemical Society (2005) Space group: P 41 Cell volume: 4507 Cell parameters: 12.3265; 12.3265; 29.6626; 90; 90; 90;

COD ID: 4100230
CIF file	Formula: - C28 H30 Br Cl6 S16 - Comments: Michio M. Matsushita; Tadashi Sugawara Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt Journal of the American Chemical Society (2005) Space group: P 41 Cell volume: 4587.6 Cell parameters: 12.4007; 12.4007; 29.8325; 90; 90; 90;

COD ID: 4100231
CIF file	Formula: - C28 H30 Br Cl6 S16 - Comments: Michio M. Matsushita; Tadashi Sugawara Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt Journal of the American Chemical Society (2005) Space group: P 41 Cell volume: 4580.3 Cell parameters: 12.3954; 12.3954; 29.811; 90; 90; 90;

COD ID: 4101156
CIF file	Formula: - C34 H22 - Comments: Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin Organization of Acenes with a Cruciform Assembly Motif Journal of the American Chemical Society (2006) Space group: P 41 Cell volume: 4712.9 Cell parameters: 15.5345; 15.5352; 19.5287; 90.021; 90.022; 90;

COD ID: 4102586
CIF file	Formula: - C18 H18 Br2 O2 - Comments: Ilija Čorić; Sreekumar Vellalath; Benjamin List Catalytic Asymmetric Transacetalization Journal of the American Chemical Society 132 (2010) 8536-8537 Space group: P 41 Cell volume: 1749 Cell parameters: 10.8373; 10.8373; 14.8921; 90; 90; 90;

COD ID: 4103882
CIF file	Formula: - C83 H62 F24 N14 P4 Ru2 - Comments: Kari A. McGee; Kent R. Mann Inefficient Crystal Packing in Chiral [Ru(phen)3](PF6)2 Enables Oxygen Molecule Quenching of the Solid-State MLCT Emission Journal of the American Chemical Society 131 (2009) 1896-1902 Space group: P 41 Cell volume: 8223.3 Cell parameters: 25.5737; 25.5737; 12.5736; 90; 90; 90;

COD ID: 4105604
CIF file	Formula: - C40 H50 Cl3 Fe N3 S - Comments: Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes Journal of the American Chemical Society 133 (2011) 1274-1277 Space group: P 41 Cell volume: 4087.94 Cell parameters: 12.73727; 12.73727; 25.1972; 90; 90; 90;

COD ID: 4106900

Formula: - C22 H60 Fe N2 P2 Si4 -
Comments: Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes Journal of the American Chemical Society 133 (2011) 15806-15809
Space group: P 41
Cell volume: 3449.56
Cell parameters: 11.9184; 11.9184; 24.2844; 90; 90; 90;

COD ID: 4107677
CIF file	Formula: - C8 H6 Br F5 N2 - Comments: Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations Journal of the American Chemical Society 130 (2008) 4600-4601 Space group: P 41 Cell volume: 1061.25 Cell parameters: 7.424; 7.424; 19.255; 90; 90; 90;

COD ID: 4107888

Formula: - C15 H13 Br O3 -
Comments: Ying-Qing Jiang; Yong-Ling Shi; Min Shi Chiral Phosphine-Catalyzed Enantioselective Construction of γ-Butenolides Through Substitution of Morita-Baylis-Hillman Acetates with 2-Trimethylsilyloxy Furan Journal of the American Chemical Society 130 (2008) 7202-7203
Space group: P 41
Cell volume: 1398.3
Cell parameters: 9.2942; 9.2942; 16.1873; 90; 90; 90;

COD ID: 4109262

Formula: - C27 H49 N3 O6 -
Comments: Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin Journal of the American Chemical Society 129 (2007) 4039-4048
Space group: P 41
Cell volume: 3122.9
Cell parameters: 11.0742; 11.0742; 25.464; 90; 90; 90;

COD ID: 4110272
CIF file	Formula: - C84 H24 B2 F40 N6 Ru - Comments: Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann Porous Crystalline Ruthenium Complexes Are Oxygen Sensors Journal of the American Chemical Society 129 (2007) 15092-15093 Space group: P 41 Cell volume: 7358.8 Cell parameters: 12.8314; 12.8314; 44.695; 90; 90; 90;

COD ID: 4110917

Formula: - C63 H172 N36 O44 -
Comments: Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host Journal of the American Chemical Society 128 (2006) 12574-12581
Space group: P 41
Cell volume: 11097
Cell parameters: 22.65; 22.65; 21.63; 90; 90; 90;

COD ID: 4114284

Formula: - C98 H110 Cl8 F6 Mo4 N12 O16 P Zn -
Comments: F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion Journal of the American Chemical Society 125 (2003) 12945-12952
Space group: P 41
Cell volume: 10968.1
Cell parameters: 13.8487; 13.8487; 57.189; 90; 90; 90;

COD ID: 4114285

Formula: - C98 H110 Cl8 Co F6 Mo4 N12 O16 P -
Comments: F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion Journal of the American Chemical Society 125 (2003) 12945-12952
Space group: P 41
Cell volume: 10957.1
Cell parameters: 13.8316; 13.8316; 57.273; 90; 90; 90;

COD ID: 4114773
CIF file	Formula: - C30 H32 Cl2 Cr O5 - Comments: Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure Journal of the American Chemical Society 124 (2002) 5109-5116 Space group: P 41 Cell volume: 5926.1 Cell parameters: 19.7635; 19.7635; 15.172; 90; 90; 90;

COD ID: 4115318

Formula: - C19 H30 O4 -
Comments: Paul A. Wender; Jeremy L. Baryza; Chad E. Bennett; F. Christopher Bi; Stacey E. Brenner; Michael O. Clarke; Joshua C. Horan; Cindy Kan; Emmanuel Lacôte; Blaise Lippa; Peter G. Nell; Tim M. Turner The Practical Synthesis of a Novel and Highly Potent Analogue of Bryostatin Journal of the American Chemical Society 124 (2002) 13648-13649
Space group: P 41
Cell volume: 1818.32
Cell parameters: 9.415; 9.415; 20.513; 90; 90; 90;

COD ID: 4121346

Formula: - C102 H96 Ce K2 O12 -
Comments: Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework Journal of the American Chemical Society 135 (2013) 19016-19024
Space group: P 41
Cell volume: 9561.5
Cell parameters: 20.0895; 20.0895; 23.6913; 90; 90; 90;

COD ID: 4126338

Formula: - C31 H43 B N4 -
Comments: Chen, Wen-Ching; Shih, Wei-Chih; Jurca, Titel; Zhao, Lili; Andrada, Diego M.; Peng, Chun-Jung; Chang, Chun-Chi; Liu, Shu-Kai; Wang, Yi-Ping; Wen, Yuh-Sheng; Yap, Glenn P. A.; Hsu, Chao-Ping; Frenking, Gernot; Ong, Tiow-Gan Carbodicarbenes: Unexpected π-Accepting Ability during Re-activity with Small Molecules. Journal of the American Chemical Society (2017)
Space group: P 41
Cell volume: 2925.04
Cell parameters: 15.8086; 15.8086; 11.7043; 90; 90; 90;

COD ID: 4127089
CIF file	Formula: - C14 H14 O2 - Comments: Robinson, Emily E.; Thomson, Regan J. A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules. Journal of the American Chemical Society (2018) Space group: P 41 Cell volume: 1082 Cell parameters: 7.4122; 7.4122; 19.6939; 90; 90; 90;

COD ID: 4128178

Formula: - C32 H34 Cl2 F4 Ir N3 O2 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 41
Cell volume: 3313.1
Cell parameters: 12.3048; 12.3048; 21.882; 90; 90; 90;

COD ID: 4128494
CIF file	Formula: - C6 H18 As Li N2 - Comments: Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel. Journal of the American Chemical Society 141(7) (2019) 3304-3314 Space group: P 41 Cell volume: 1093.16 Cell parameters: 8.612; 8.612; 14.7393; 90; 90; 90;

COD ID: 4128623
CIF file	Formula: - C22 H19 Br2 N O2 - Comments: Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M. Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles. Journal of the American Chemical Society 141(31) (2019) 12212-12218 Space group: P 41 Cell volume: 3995.44 Cell parameters: 17.9521; 17.9521; 12.3975; 90; 90; 90;

COD ID: 4129686
CIF file	Formula: - C34 H33 N3 O4 Ti - Comments: Seo, Min-Seob; Kim, Hyunwoo (1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes. Journal of the American Chemical Society 137(44) (2015) 14190-14195 Space group: P 41 Cell volume: 2922.2 Cell parameters: 13.3617; 13.3617; 16.3676; 90; 90; 90;

COD ID: 4133688

Formula: - C78 H78 Al F6 N6 O7 P -
Comments: Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A. Organic Electron Delocalization Modulated by Ligand Charge States in [L2M] n- Complexes of Group 13 Ions. Journal of the American Chemical Society 141(40) (2019) 15792-15803
Space group: P 41
Cell volume: 6878.56
Cell parameters: 13.5965; 13.5965; 37.2086; 90; 90; 90;

COD ID: 4133689

Formula: - C66 H54 Al N6 O4 -
Comments: Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A. Organic Electron Delocalization Modulated by Ligand Charge States in [L2M] n- Complexes of Group 13 Ions. Journal of the American Chemical Society 141(40) (2019) 15792-15803
Space group: P 41
Cell volume: 6926.4
Cell parameters: 13.5799; 13.5799; 37.5593; 90; 90; 90;

COD ID: 4301260
CIF file	Formula: - C6 H10 Au Cl - Comments: Jiang Wu; Peter Kroll; H. V. Rasika Dias Gold(I) Chloride Coordinated 3-Hexyne Inorganic Chemistry 48 (2009) 423-425 Space group: P 41 Cell volume: 791.06 Cell parameters: 8.3936; 8.3936; 11.2283; 90; 90; 90;

COD ID: 4302963
CIF file	Formula: - C18 H16 Co Na2 O10 - Comments: Jie-Peng Zhang; Sujit K. Ghosh; Jian-Bin Lin; Susumu Kitagawa New Heterometallic Carboxylate Frameworks: Synthesis, Structure, Robustness, Flexibility, and Porosity Inorganic Chemistry 48 (2009) 7970-7976 Space group: P 41 Cell volume: 2033.3 Cell parameters: 9.966; 9.966; 20.472; 90; 90; 90;

COD ID: 4302964
CIF file	Formula: - C20 H20 Co Na2 O10 - Comments: Jie-Peng Zhang; Sujit K. Ghosh; Jian-Bin Lin; Susumu Kitagawa New Heterometallic Carboxylate Frameworks: Synthesis, Structure, Robustness, Flexibility, and Porosity Inorganic Chemistry 48 (2009) 7970-7976 Space group: P 41 Cell volume: 2093 Cell parameters: 10.0292; 10.0292; 20.808; 90; 90; 90;

COD ID: 4304011
CIF file	Formula: - Br10 Fe La6 - Comments: Chong Zheng; Hansjürgen Mattausch; Constantin Hoch; Arndt Simon La6Br10Fe: A La6Fe Octahedron with a Mixed M6X12/M6X8 Type Environment Inorganic Chemistry 47 (2008) 2356-2361 Space group: P 41 Cell volume: 2046.4 Cell parameters: 8.2546; 8.2546; 30.033; 90; 90; 90;

COD ID: 4304236
CIF file	Formula: - C18 H41 K N2 O3.5 - Comments: Ajay Venugopal; Raphael J. F. Berger; Alexander Willner; Tania Pape; Norbert W. Mitzel Potassium Hydroxylamine Complexes Inorganic Chemistry 47 (2008) 4506-4512 Space group: P 41 Cell volume: 4587.1 Cell parameters: 10.5356; 10.5356; 41.326; 90; 90; 90;

COD ID: 4304595

Formula: - C25 H46 Cl N5 Ni O6 -
Comments: Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains Inorganic Chemistry 47 (2008) 2710-2718
Space group: P 41
Cell volume: 2890.3
Cell parameters: 12.6088; 12.6088; 18.18; 90; 90; 90;

COD ID: 4304756
CIF file	Formula: - C50 H50 N7 P2 Re S2 - Comments: Elena López-Torres; Ulrich Abram Rhenium Complexes with Triazine Derivatives Formed from Semicarbazones and Thiosemicarbazones Inorganic Chemistry 47 (2008) 2890-2896 Space group: P 41 Cell volume: 4750.9 Cell parameters: 12.387; 12.387; 30.963; 90; 90; 90;

COD ID: 4308381

Formula: - C32 H68 N4 O8 Zn4 -
Comments: Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A. Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes Inorganic Chemistry 44(2) (2005) 359-364
Space group: P 41
Cell volume: 4510.3
Cell parameters: 13.0143; 13.0143; 26.6298; 90; 90; 90;

COD ID: 4308549
CIF file	Formula: - C27 H63 I4 N9 O9 U - Comments: Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine New Efficient Synthesis of [UI4(MeCN)4]. X-ray Crystal Structures of [UI2(MeCN)7][UI6], [UI4(py)3], and [U(dmf)9]I4 Inorganic Chemistry 44 (2005) 1142-1146 Space group: P 41 Cell volume: 9776.5 Cell parameters: 13.5474; 13.5474; 53.2687; 90; 90; 90;

COD ID: 4310878
CIF file	Formula: - C4 H14 F4 N2 Ni2 O5 S - Comments: J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates Inorganic Chemistry 43 (2004) 2636-2642 Space group: P 41 Cell volume: 1053.18 Cell parameters: 10.8722; 10.8722; 8.9098; 90; 90; 90;

COD ID: 4312225
CIF file	Formula: - C33 H29 Fe2 O8 P S2 - Comments: Richard D. Adams; Shaobin Miao Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties Inorganic Chemistry 43 (2004) 8414-8426 Space group: P 41 Cell volume: 7561.7 Cell parameters: 14.0285; 14.0285; 38.4236; 90; 90; 90;

COD ID: 4313132
CIF file	Formula: - C59 H42 Ge4 O10 Ru5 - Comments: Richard D. Adams; Burjor Captain; Wei Fu Germanium-Rich Pentaruthenium Carbonyl Clusters Including Ru5(CO)11(μ-GePh2)4(μ5-C) and Its Reactions with Hydrogen Inorganic Chemistry 42 (2003) 1328-1333 Space group: P 41 Cell volume: 6965.2 Cell parameters: 23.7015; 23.7015; 12.3989; 90; 90; 90;

COD ID: 4313982

Formula: - C12 H18 Cu2 N2 O10 -
Comments: Tian-Fu Liu; Hao-Ling Sun; Song Gao; Shi-Wei Zhang; Tai-Chu Lau Ferromagnetic Ordering and Metamagnetism in Malonate Bridged 3D Diamond-like and Honeycomb-like Networks: [Cu(mal)(DMF)]n and {[Cu(mal)(0.5pyz)].H2O}n (mal = Malonate Dianion, DMF =N,N-dimethylformamide, pyz = Pyrazine) Inorganic Chemistry 42 (2003) 4792-4794
Space group: P 41
Cell volume: 848.1
Cell parameters: 8.4015; 8.4015; 12.015; 90; 90; 90;

COD ID: 4314507

Formula: - C48 H32 Cl4 In4 N8 O0 Se4 -
Comments: Zhi-Xin Lei; Qin-Yu Zhu; Ming-Hui Zhang; Jian-Bing Jiang; Ya-Ping Zhang; Jie Dai Indium Chalcogenido Clusters Coordinated by 1,10-Phenanthroline, [InQ(phen)Cl]4 (Q = Se, S), a Simplified Model of Inorganic-Organic Hybrid Material with Cluster-to-Ligand Charge Transfer Inorganic Chemistry 49 (2010) 353-355
Space group: P 41
Cell volume: 5088.2
Cell parameters: 12.1496; 12.1496; 34.47; 90; 90; 90;

COD ID: 4316324

Formula: - C24 H68 Li2 Mn N4 S4 Si4 -
Comments: Chhatra B. Khadka; Daniel G. Macdonald; Yanhua Lan; Annie K. Powell; Dieter Fenske; John F. Corrigan Trimethylsilylchalcogenolates of Co(II) and Mn(II): From Mononuclear Coordination Complexes to Clusters Containing -ESiMe3 Moieties (E = S, Se) Inorganic Chemistry 49 (2010) 7289-7297
Space group: P 41
Cell volume: 4439.7
Cell parameters: 11.1899; 11.1899; 35.457; 90; 90; 90;

COD ID: 4317068
CIF file	Formula: - C16 H22 B10 N2 O2 - Comments: Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes Inorganic Chemistry 49 (2010) 10627-10634 Space group: P 41 Cell volume: 2060.3 Cell parameters: 12.1116; 12.1116; 14.0454; 90; 90; 90;

COD ID: 4317488

Formula: - C44 H20 F28 Fe2 N6 Ni O12 -
Comments: Asako Kamiyama; Tomoko Noguchi; Takashi Kajiwara; Tasuku Ito Syntheses, Structures, and Properties of Trinuclear Complexes [M(bpca)2{M'(hfac)2}2], Constructed with the Complexed Bridging Ligand [M(bpca)2] [M, M' = Ni(II), Mn(II); Cu(II), Mn(II); Fe(II), Mn(II); Ni(II), Fe(II); and Fe(II), Fe(II); Hbpca = Bis(2-pyridylcarbonyl)amine, Hhfac = Hexafluoroacetylacetone] Inorganic Chemistry 41 (2002) 507-512
Space group: P 41
Cell volume: 5199.2
Cell parameters: 16.5975; 16.5975; 18.8733; 90; 90; 90;

COD ID: 4317489

Formula: - C44 H20 F24 Fe3 N6 O12 -
Comments: Asako Kamiyama; Tomoko Noguchi; Takashi Kajiwara; Tasuku Ito Syntheses, Structures, and Properties of Trinuclear Complexes [M(bpca)2{M'(hfac)2}2], Constructed with the Complexed Bridging Ligand [M(bpca)2] [M, M' = Ni(II), Mn(II); Cu(II), Mn(II); Fe(II), Mn(II); Ni(II), Fe(II); and Fe(II), Fe(II); Hbpca = Bis(2-pyridylcarbonyl)amine, Hhfac = Hexafluoroacetylacetone] Inorganic Chemistry 41 (2002) 507-512
Space group: P 41
Cell volume: 5064.5
Cell parameters: 16.5136; 16.5136; 18.5718; 90; 90; 90;

COD ID: 4318924

Formula: - C15 H13 Br N3 O3 Re -
Comments: Sangeeta Ray Banerjee; Murali K. Levadala; Neva Lazarova; Lihui Wei; John F. Valliant; Karin A. Stephenson; John W. Babich; Kevin P. Maresca; Jon Zubieta Bifunctional Single Amino Acid Chelates for Labeling of Biomolecules with the {Tc(CO)3}+ and {Re(CO)3}+ Cores. Crystal and Molecular Structures of [ReBr(CO)3(H2NCH2C5H4N)], [Re(CO)3{(C5H4NCH2)2NH}]Br, [Re(CO)3{(C5H4NCH2)2NCH2CO2H}]Br, [Re(CO)3{X(Y)NCH2CO2CH2CH3}]Br (X = Y = 2-pyridylmethyl; X = 2-pyridylmethyl, Y = 2-(1-methylimidazolyl)methyl; X = Y = 2-(1-methylimidazolyl)methyl), [ReBr(CO)3{(C5H4NCH2)NH(CH2C4H3S)}], and [Re(CO)3{(C5H4NCH2)N(CH2C4H3S)(CH2CO2)}] Inorganic Chemistry 41 (2002) 6417-6425
Space group: P 41
Cell volume: 1646.85
Cell parameters: 8.6095; 8.6095; 22.2176; 90; 90; 90;

COD ID: 4320160
CIF file	Formula: - C18 H24 Br0.29 Cl0.71 N2 O5 P2 Re - Comments: Liang Xu; Mark P. Lowe; Steven J. Rettig; Chris Orvig [ReO(N2O2)X] Complexes: "4 + 1"? Inorganic Chemistry 40 (2001) 4623-4626 Space group: P 41 Cell volume: 2238.5 Cell parameters: 12.8979; 12.8979; 13.456; 90; 90; 90;

COD ID: 4322130
CIF file	Formula: - C7 H2 F6 O8 Ru - Comments: Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent Inorganic Chemistry 38 (1999) 3361-3368 Space group: P 41 Cell volume: 1306.6 Cell parameters: 10.9; 10.9; 10.997; 90; 90; 90;

COD ID: 4325897
CIF file	Formula: - C45 H60 Cu5 N13 O19 Tm - 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 41 Cell volume: 6750.9 Cell parameters: 19.1568; 19.1568; 18.3956; 90; 90; 90;

COD ID: 4325909
CIF file	Formula: - C45 H67 Cu5 N12 O25 Sm - 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 41 Cell volume: 6834.8 Cell parameters: 19.31; 19.31; 18.33; 90; 90; 90;

COD ID: 4325912
CIF file	Formula: - C46 H75 Cu5 Eu N12 O28 - 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 41 Cell volume: 6810.3 Cell parameters: 19.2559; 19.2559; 18.367; 90; 90; 90;

COD ID: 4325913
CIF file	Formula: - C45 H62 Cu5 Gd N13 O29 - 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 41 Cell volume: 6805.5 Cell parameters: 19.246; 19.246; 18.373; 90; 90; 90;

COD ID: 4325915
CIF file	Formula: - C46 H73 Cu5 Dy N12 O27 - 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 41 Cell volume: 6759.7 Cell parameters: 19.2036; 19.2036; 18.33; 90; 90; 90;

COD ID: 4325916
CIF file	Formula: - C45 H67 Cu5 Ho N12 O25 - 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 41 Cell volume: 6793.4 Cell parameters: 19.244; 19.244; 18.344; 90; 90; 90;

COD ID: 4326324

Formula: - C74 H81 In2 N5 O26 -
Comments: Sihai Yang; Gregory S. B. Martin; Jeremy J. Titman; Alexander J. Blake; David R. Allan; Neil R. Champness; Martin Schröder Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal-Organic Frameworks Inorganic Chemistry 50 (2011) 9374-9384
Space group: P 41
Cell volume: 3400.11
Cell parameters: 9.848; 9.848; 35.0588; 90; 90; 90;

COD ID: 4328360
CIF file	Formula: - C6 H9 Cu N8 O1.5 - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1196.22 Cell parameters: 12.2996; 12.2996; 7.9073; 90; 90; 90;

COD ID: 4328362
CIF file	Formula: - C6 H8 Cu N8 O - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1211.23 Cell parameters: 12.3857; 12.3857; 7.8956; 90; 90; 90;

COD ID: 4328363
CIF file	Formula: - C6 H8 Cu I N8 O - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1213.78 Cell parameters: 12.3919; 12.3919; 7.9043; 90; 90; 90;

COD ID: 4328365
CIF file	Formula: - C6 H8 Cu N8 O - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1217.29 Cell parameters: 12.3879; 12.3879; 7.9323; 90; 90; 90;

COD ID: 4328366
CIF file	Formula: - C6 H8 Cu N8 O - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1209.96 Cell parameters: 12.3684; 12.3684; 7.9094; 90; 90; 90;

COD ID: 4328367
CIF file	Formula: - C6 H8 Cu N8 O - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1217.05 Cell parameters: 12.3965; 12.3965; 7.9197; 90; 90; 90;

COD ID: 4328368
CIF file	Formula: - C6 H8 Cu N8 O - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1218.28 Cell parameters: 12.3933; 12.3933; 7.9318; 90; 90; 90;

COD ID: 4328369
CIF file	Formula: - C6 H8 Cu N8 O - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1206.1 Cell parameters: 12.3494; 12.3494; 7.9086; 90; 90; 90;

COD ID: 4328370
CIF file	Formula: - C6 H8 Cu N8 O - Comments: Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption Inorganic Chemistry 51 (2012) 2303-2310 Space group: P 41 Cell volume: 1224.2 Cell parameters: 12.414; 12.414; 7.944; 90; 90; 90;

COD ID: 4328436

Formula: - C2 H10 B10 I2 -
Comments: Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives. Inorganic Chemistry 51 (2012) 2629-2637
Space group: P 41
Cell volume: 1201.24
Cell parameters: 7.528; 7.528; 21.1968; 90; 90; 90;

COD ID: 4328617

Formula: - C80 H38 Cd I N6 S4 -
Comments: Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-} Inorganic Chemistry 51 (2012) 3420-3426
Space group: P 41
Cell volume: 5678.6
Cell parameters: 16.2447; 16.2447; 21.5187; 90; 90; 90;

COD ID: 4328618

Formula: - C80 H38 Cd I N6 S4 -
Comments: Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-} Inorganic Chemistry 51 (2012) 3420-3426
Space group: P 41
Cell volume: 5540.3
Cell parameters: 16.096; 16.096; 21.3845; 90; 90; 90;

COD ID: 4328619

Formula: - C80 H38 Cd I N6 S4 -
Comments: Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-} Inorganic Chemistry 51 (2012) 3420-3426
Space group: P 41
Cell volume: 5552.9
Cell parameters: 16.1224; 16.1224; 21.3629; 90; 90; 90;

COD ID: 4328678

Formula: - C34 H28 Cr F12 N8 P2 -
Comments: Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1- Inorganic Chemistry 51 (2012) 3718-3732
Space group: P 41
Cell volume: 7404.2
Cell parameters: 12.3886; 12.3886; 48.243; 90; 90; 90;

COD ID: 4328973
CIF file	Formula: - C5 H8 N Ni O5.5 S - Comments: Yan-Yan Yin; Jian-Gong Ma; Zheng Niu; Xiao-Chang Cao; Wei Shi; Peng Cheng Chiral Ni(II) Coordination Polymers: Structure-Driven Effects of Temperature and Polyvinylpyrrolidone Inorganic Chemistry 51 (2012) 4784-4790 Space group: P 41 Cell volume: 793.2 Cell parameters: 12.2986; 12.2986; 5.2444; 90; 90; 90;

COD ID: 4330046

Formula: - C26 H29 Fe N3 Ni S2 -
Comments: Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes Inorganic Chemistry 51 (2012) 8916-8930
Space group: P 41
Cell volume: 2878.3
Cell parameters: 15.394; 15.394; 12.146; 90; 90; 90;

COD ID: 4330048

Formula: - C26 H29 Fe N3 Pd S2 -
Comments: Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes Inorganic Chemistry 51 (2012) 8916-8930
Space group: P 41
Cell volume: 2904.32
Cell parameters: 15.4391; 15.4391; 12.1843; 90; 90; 90;

COD ID: 4331355
CIF file	Formula: - C H3 La O7 S - Comments: Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices Inorganic Chemistry 51 (2012) 13373-13379 Space group: P 41 Cell volume: 581.45 Cell parameters: 7.0078; 7.0078; 11.8399; 90; 90; 90;

COD ID: 4331356
CIF file	Formula: - C H3 Ce O7 S - Comments: Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices Inorganic Chemistry 51 (2012) 13373-13379 Space group: P 41 Cell volume: 576.11 Cell parameters: 6.9951; 6.9951; 11.7739; 90; 90; 90;

COD ID: 4331357
CIF file	Formula: - C H3 Nd O7 S - Comments: Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices Inorganic Chemistry 51 (2012) 13373-13379 Space group: P 41 Cell volume: 568.11 Cell parameters: 6.9706; 6.9706; 11.6921; 90; 90; 90;

COD ID: 4331358
CIF file	Formula: - C H3 Eu O7 S - Comments: Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices Inorganic Chemistry 51 (2012) 13373-13379 Space group: P 41 Cell volume: 554.15 Cell parameters: 6.913; 6.913; 11.5956; 90; 90; 90;

COD ID: 4331384
CIF file	Formula: - C H3 O7 Pr S - Comments: Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices Inorganic Chemistry 51 (2012) 13373-13379 Space group: P 41 Cell volume: 573.1 Cell parameters: 6.9876; 6.9876; 11.7374; 90; 90; 90;

COD ID: 4332255

Formula: - C18 H37 N3 O17 P3 Tb -
Comments: Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties Inorganic Chemistry 45(11) (2006) 4431-4439
Space group: P 41
Cell volume: 2914.17
Cell parameters: 12.4643; 12.4643; 18.7577; 90; 90; 90;

COD ID: 4332256

Formula: - C18 H37 Dy N3 O17 P3 -
Comments: Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties Inorganic Chemistry 45(11) (2006) 4431-4439
Space group: P 41
Cell volume: 2907.6
Cell parameters: 12.4486; 12.4486; 18.7626; 90; 90; 90;

COD ID: 4332257

Formula: - C18 H37 Eu N3 O17 P3 -
Comments: Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties Inorganic Chemistry 45(11) (2006) 4431-4439
Space group: P 41
Cell volume: 2931.78
Cell parameters: 12.4799; 12.4799; 18.8239; 90; 90; 90;

COD ID: 4332258

Formula: - C18 H37 Gd N3 O17 P3 -
Comments: Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties Inorganic Chemistry 45(11) (2006) 4431-4439
Space group: P 41
Cell volume: 2935.5
Cell parameters: 12.4877; 12.4877; 18.824; 90; 90; 90;

COD ID: 4332400

Formula: - C7 H8 Cl Li N4 O4 -
Comments: Hwang, In-Chul; Chandran, R. Prakash; Singh, N. Jiten; Khandelwal, Manish; Thangadurai, T. Daniel; Lee, Jung-Woo; Chang, Jeong Ah; Kim, Kwang S. Organic−Inorganic Hybrid Compounds of Li with Bisimidazole Derivatives: Li Ion Binding Study and Topochemical Properties Inorganic Chemistry 45(20) (2006) 8062-8069
Space group: P 41
Cell volume: 1090.6
Cell parameters: 9.151; 9.151; 13.023; 90; 90; 90;

COD ID: 4335251

Formula: - C30 H23 Cu N2 Na O8 -
Comments: Qing-Yan Liu; Wei-Lu Xiong; Cai-Ming Liu; Yu-Ling Wang; Jia-Jia Wei; Zuo-Juan Xiahou; Li-Hua Xiong Chiral Induction in the Ionothermal Synthesis of a 3D Chiral Heterometallic Metal-Organic Framework Constructed from Achiral 1,4-Naphthalenedicarboxylate Inorganic Chemistry 52 (2013) 6773-6775
Space group: P 41
Cell volume: 2729.2
Cell parameters: 10.6642; 10.6642; 23.998; 90; 90; 90;

COD ID: 4337530

Formula: - C11 H8 Cl Cu N5 O5 -
Comments: Huang, Wei; Jin, Yuchao; Wu, Dayu; Wu, Genhua Anion-tunable configuration isomerism and magnetic coupling in a tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker copper(II) complexes of a carbohydrazine derivative. Inorganic chemistry 53(1) (2014) 73-79
Space group: P 41
Cell volume: 1356.39
Cell parameters: 8.3845; 8.3845; 19.2943; 90; 90; 90;

COD ID: 4341038
CIF file	Formula: - C24 H44 Co N O2 P2 - Comments: Scheuermann, Margaret L.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J. Carbon dioxide hydrosilylation promoted by cobalt pincer complexes. Inorganic chemistry 53(18) (2014) 9463-9465 Space group: P 41 Cell volume: 2626.5 Cell parameters: 10.73; 10.73; 22.813; 90; 90; 90;

COD ID: 4342560

Formula: - C17 H14 Mn2 N0 O10 -
Comments: Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties. Inorganic chemistry 54(6) (2015) 2560-2571
Space group: P 41
Cell volume: 1927.93
Cell parameters: 13.0696; 13.0696; 11.2867; 90; 90; 90;

COD ID: 4343042
CIF file	Formula: - C24 H16 N3 O9 Tb Zn - Comments: Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors. Inorganic chemistry 54(11) (2015) 5266-5272 Space group: P 41 Cell volume: 2243.5 Cell parameters: 12.1822; 12.1822; 15.117; 90; 90; 90;

COD ID: 4343045
CIF file	Formula: - C24 H16 N3 O9 Tb Zn - Comments: Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors. Inorganic chemistry 54(11) (2015) 5266-5272 Space group: P 41 Cell volume: 2233.63 Cell parameters: 12.1807; 12.1807; 15.0545; 90; 90; 90;

COD ID: 4343046
CIF file	Formula: - C24 H16 N3 O9 Tb Zn - Comments: Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors. Inorganic chemistry 54(11) (2015) 5266-5272 Space group: P 41 Cell volume: 2225.4 Cell parameters: 12.1584; 12.1584; 15.0541; 90; 90; 90;

COD ID: 4345584

Formula: - C28 H38 F N3 Ni O2 -
Comments: Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H. A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations. Inorganic chemistry 56(6) (2017) 3631-3643
Space group: P 41
Cell volume: 2747.5
Cell parameters: 15.0708; 15.0708; 12.09666; 90; 90; 90;

COD ID: 4346213

Formula: - C79 H74 Cl2 F12 P10 Pd2 -
Comments: Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands. Inorganic chemistry 54(17) (2015) 8298-8309
Space group: P 41
Cell volume: 7746.9
Cell parameters: 12.3849; 12.3849; 50.5057; 90; 90; 90;

COD ID: 4349507
CIF file	Formula: - C81 H80 Ag B N2 P2 - Comments: Kakizoe, Daichi; Nishikawa, Michihiro; Degawa, Taku; Tsubomura, Taro Intense blue emission and a reversible hypsochromic shift of luminescence caused by grinding based on silver(i) complexes Inorganic Chemistry Frontiers 3(11) (2016) 1381 Space group: P 41 Cell volume: 13491.6 Cell parameters: 17.4551; 17.4551; 44.281; 90; 90; 90;

COD ID: 4350151

Formula: - C54 H87 N O4 Zr -
Comments: Gendler, Shimrit; Segal, Sharon; Goldberg, Israel; Goldschmidt, Zeev; Kol, Moshe Titanium and zirconium complexes of dianionic and trianionic amine-phenolate-type ligands in catalysis of lactide polymerization. Inorganic chemistry 45(12) (2006) 4783-4790
Space group: P 41
Cell volume: 5408.1
Cell parameters: 14.59; 14.59; 25.406; 90; 90; 90;

COD ID: 4350700
CIF file	Formula: - C33 H60 Co N4 Si4 - Comments: Day, Benjamin M.; Pal, Kuntal; Pugh, Thomas; Tuck, Jessica; Layfield, Richard A. Carbene rearrangements in three-coordinate N-heterocyclic carbene complexes of cobalt(II) bis(trimethylsilyl)amide. Inorganic chemistry 53(19) (2014) 10578-10584 Space group: P 41 Cell volume: 3933.8 Cell parameters: 10.96149; 10.96149; 32.7396; 90; 90; 90;

COD ID: 4500412
CIF file	Formula: - C22 H48 Cl N5 Ni O6 - Comments: Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu pH Values Dependent Helicity of 1D Homochiral Helical Chains Crystal Growth & Design 11(3) (2011) 851 Space group: P 41 Cell volume: 2782.6 Cell parameters: 12.352; 12.352; 18.238; 90; 90; 90;

COD ID: 4502028
CIF file	Formula: - C10 H18 O2 - Comments: Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L. The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30† Crystal Growth & Design 10(10) (2010) 4582 Space group: P 41 Cell volume: 1962.8 Cell parameters: 9.161; 9.161; 23.388; 90; 90; 90;

COD ID: 4502075

Formula: - C36 H28 N8 O16 Zr -
Comments: Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks Crystal Growth & Design 10(11) (2010) 4906
Space group: P 41
Cell volume: 3655.3
Cell parameters: 10.126; 10.126; 35.649; 90; 90; 90;

COD ID: 4503764
CIF file	Formula: - C30 H51 Br7 Cu4 N3 O2 - Comments: Ye, Qiong; Hang, Tian; Fu, Da-Wei; Xu, Guang-Hai; Xiong, Ren-Gen Typical Ferroelectric Olefin-copper(I) Organometallic Oligmer with Flexible Organic Ligand Crystal Growth & Design 8(10) (2008) 3501 Space group: P 41 Cell volume: 4045 Cell parameters: 12.599; 12.599; 25.48; 90; 90; 90;

COD ID: 4503803

Formula: - C14 H8 O4 -
Comments: Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone Crystal Growth & Design 8(12) (2008) 4517
Space group: P 41
Cell volume: 1012.81
Cell parameters: 5.723; 5.723; 30.923; 90; 90; 90;

COD ID: 4503804

Formula: - C14 H8 O4 -
Comments: Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone Crystal Growth & Design 8(12) (2008) 4517
Space group: P 41
Cell volume: 1036.4
Cell parameters: 5.746; 5.746; 31.39; 90; 90; 90;

COD ID: 4503809

Formula: - C14 H8 O4 -
Comments: Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone Crystal Growth & Design 8(12) (2008) 4517
Space group: P 41
Cell volume: 1007.1
Cell parameters: 5.714; 5.714; 30.845; 90; 90; 90;

COD ID: 4505306

Formula: - C100 H168 O20 -
Comments: Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths Crystal Growth & Design 4(2) (2004) 263
Space group: P 41
Cell volume: 9236.9
Cell parameters: 11.5419; 11.5419; 69.338; 90; 90; 90;

COD ID: 4505882
CIF file	Formula: - C27 H22 N2 O2 - Comments: Rajbongshi, Basanta Kumar; Nair, Nisanth N.; Nethaji, M.; Ramanathan, Gurunath Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism Crystal Growth & Design 12(4) (2012) 1823 Space group: P 41 Cell volume: 2168.7 Cell parameters: 19.9715; 19.9715; 5.4372; 90; 90; 90;

COD ID: 4508915
CIF file	Formula: - C29 H28 Fe N7 O5 S - Comments: Roth, Arne; Koth, Daniel; Gottschaldt, Michael; Plass, Winfried An Inorganic Thymidine Helix: Design of Homochiral Helical Arrays Crystal Growth & Design 6(12) (2006) 2655 Space group: P 41 Cell volume: 2931.84 Cell parameters: 10.0247; 10.0247; 29.1741; 90; 90; 90;

COD ID: 4510524
CIF file	Formula: - C9 H13 N O3 S Zn - Comments: Yao, Jia; Mo, Yong-Hui; Chen, Jia-Mei; Lu, Tong-Bu New Approach to Reduce the Overhigh Plasma Concentration of Captopril by the Formation of Zinc Coordination Polymer Crystal Growth & Design 14(5) (2014) 2599 Space group: P 41 Cell volume: 1111.2 Cell parameters: 9.579; 9.579; 12.11; 90; 90; 90;

COD ID: 4513454
CIF file	Formula: - C15 H13 Br N2 - Comments: Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines ACS Catalysis 5(9) (2015) 5026 Space group: P 41 Cell volume: 1383.59 Cell parameters: 15.9607; 15.9607; 5.4313; 90; 90; 90;

COD ID: 4514656

Formula: - C27 H48 Cl N2 P Ru -
Comments: Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis 9(8) (2019) 7217
Space group: P 41
Cell volume: 5725.4
Cell parameters: 13.2477; 13.2477; 32.623; 90; 90; 90;

COD ID: 4514669

Formula: - C25 H25 Br N2 O2 S -
Comments: Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate ACS Catalysis 9(8) (2019) 6903
Space group: P 41
Cell volume: 4569.7
Cell parameters: 9.7248; 9.7248; 48.32; 90; 90; 90;

COD ID: 4514910

Formula: - C31 H26 N2 O2 S -
Comments: Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones. ACS combinatorial science 21(4) (2019) 269-275
Space group: P 41
Cell volume: 2491.61
Cell parameters: 10.0749; 10.0749; 24.547; 90; 90; 90;

COD ID: 4515911

Formula: - C14 H20 O3 -
Comments: Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus Ophiosphaerella korrae. ACS omega 3(1) (2018) 176-180
Space group: P 41
Cell volume: 1313.04
Cell parameters: 13.4241; 13.4241; 7.2863; 90; 90; 90;

COD ID: 4516746

Formula: - C44.88 H61.54 Cl3 Co N6 O3.88 -
Comments: Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A. Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis. ACS central science 1(1) (2015) 50-56
Space group: P 41
Cell volume: 4679.8
Cell parameters: 13.8725; 13.8725; 24.3173; 90; 90; 90;

COD ID: 4517861

Formula: - C26 H40 Hf N2 -
Comments: Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R. Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator ACS Catalysis (2020) 8496-8502
Space group: P 41
Cell volume: 2498.47
Cell parameters: 9.491; 9.491; 27.7364; 90; 90; 90;

COD ID: 4518257

Formula: - C19 H26 O2 -
Comments: Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E. Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides ACS Medicinal Chemistry Letters (2020)
Space group: P 41
Cell volume: 1547.6
Cell parameters: 9.1412; 9.1412; 18.5205; 90; 90; 90;

COD ID: 5000054
CIF file	Formula: - C14 H19 N2 O5.5 - Comments: Hatada, M.; Jancarik, J.; Graves, B.; Kim, Sung-Hou Crystal structure of aspartame, a peptide sweetener Journal of the American Chemical Society 107(14) (1985) 4279-4282 Space group: P 41 Cell volume: 1538.46 Cell parameters: 17.685; 17.685; 4.919; 90; 90; 90;

COD ID: 5910239
CIF file	Formula: - Cl8 I Sb - Comments: Wyckoff, R. W. G. Pages 452-455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals 3 (1951) 452-452 Space group: P 41 Cell volume: 1179.03 Cell parameters: 6.98; 6.98; 24.2; 90; 90; 90;

COD ID: 7000264
CIF file	Formula: - C20 H30 N10 Sn - Comments: Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.; Uiterweerd, Patrick G. H. Synthesis and structures of halides and pseudohalides of bis[2,6-bis(dimethylamino)phenyl]tin(IV) Dalton Transactions (issue 2) (2009) 353-361 Space group: P 41 Cell volume: 2445.67 Cell parameters: 9.1568; 9.1568; 29.1683; 90; 90; 90;

COD ID: 7001281

Formula: - C16 H20 N O2 Rh -
Comments: Janiak, Christoph; Chamayou, Anne-Christine; Royhan Uddin, A. K. M.; Uddin, Mohammad; Hagen, Karl S.; Enamullah, Mohammed Polymorphs, enantiomorphs, chirality and helicity in [Rh{N,O}(η4-cod)] complexes with {N,O} = salicylaldiminato Schiff base or aminocarboxylato ligands Dalton Transactions (issue 19) (2009) 3698-3709
Space group: P 41
Cell volume: 1473.3
Cell parameters: 9.5338; 9.5338; 16.209; 90; 90; 90;

COD ID: 7001910
CIF file	Formula: - C45 H57 Cu5 Eu N12 O25 - Comments: Tegoni, Matteo; Tropiano, Manuel; Marchiò, Luciano Thermodynamics of binding of carboxylates to amphiphilic Eu3+/Cu2+ metallacrown Dalton Transactions (issue 34) (2009) 6705-6708 Space group: P 41 Cell volume: 6902.9 Cell parameters: 19.327; 19.327; 18.48; 90; 90; 90;

COD ID: 7005255

Formula: - C25 H45 P5 -
Comments: Jones, Cameron; Schulten, Christian; Stasch, Andreas Differing reactivities of P?CMe and P?CBut towards a triphosphabenzene and a tetraphosphabarrelene: synthesis of new phosphaalkyne pentamers (P5C5MenBut5?n, n = 0, 1 or 2) Dalton Transactions (issue 19) (2007) 1929
Space group: P 41
Cell volume: 5685.8
Cell parameters: 17.121; 17.121; 19.397; 90; 90; 90;

COD ID: 7011849

Formula: - C29 H24 Mn2 N16 O3 -
Comments: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S. Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/ Journal of the Chemical Society, Dalton Transactions (issue 19) (2002) 3712
Space group: P 41
Cell volume: 6829.44
Cell parameters: 22.5468; 22.5468; 13.4343; 90; 90; 90;

COD ID: 7011850

Formula: - C29 H24 Fe2 N16 O3 -
Comments: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S. Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/ Journal of the Chemical Society, Dalton Transactions (issue 19) (2002) 3712
Space group: P 41
Cell volume: 6604.28
Cell parameters: 22.3171; 22.3171; 13.2602; 90; 90; 90;

COD ID: 7011851

Formula: - C29 H24 Co2 N16 O3 -
Comments: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S. Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/ Journal of the Chemical Society, Dalton Transactions (issue 19) (2002) 3712
Space group: P 41
Cell volume: 6498.97
Cell parameters: 22.2246; 22.2246; 13.1576; 90; 90; 90;

COD ID: 7012344

Formula: - C18 H27 N3 O3 S -
Comments: Pulacchini, Sonia; Sibbons, Kevin F.; Shastri, Kirtida; Motevalli, Majid; Watkinson, Michael; Wan, Hayley; Whiting, Andrew; Lightfoot, Andrew P. Synthesis of C2-symmetric aza- and azaoxa-macrocyclic ligands derived from (1R,2R)-1,2-diaminocyclohexane and their applications in catalysisBased on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands. Dalton Transactions (issue 10) (2003) 2043
Space group: P 41
Cell volume: 1858.3
Cell parameters: 11.164; 11.164; 14.91; 90; 90; 90;

COD ID: 7012917

Formula: - C19 H25 N2 P -
Comments: Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B. Synthesis and coordination chemistry of neutral phospha(iii)guanidines. Formation of 1-aza-3-phospha-4-metallacyclobut-1-ene rings at group 6 metalsElectronic supplementary information (ESI) available: an ORTEP representation and bond lengths and angles for 3a; crystal structure and refinement data, bond lengths and angles and an ORTEP representation of the molecular structure of Mo(CO)4(pip)2. See http://www.rsc.org/suppdata/dt/b3/b302554c/ Dalton Transactions (issue 12) (2003) 2573
Space group: P 41
Cell volume: 1875.52
Cell parameters: 12.1947; 12.1947; 12.6119; 90; 90; 90;

COD ID: 7014201

Formula: - C57 H49 Cl2 N O P4 Pd2 -
Comments: Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship. Dalton transactions (Cambridge, England : 2003) (issue 13) (2004) 2041-2050
Space group: P 41
Cell volume: 6416.7
Cell parameters: 21.247; 21.247; 14.214; 90; 90; 90;

COD ID: 7016825
CIF file	Formula: - C28 H47 B N2 - Comments: Cade, Ian A.; Hill, Anthony F. 1-Borabenzonitrile (B-cyanoboratabenzene). Dalton transactions (Cambridge, England : 2003) 40(40) (2011) 10563-10567 Space group: P 41 Cell volume: 2851.37 Cell parameters: 9.6193; 9.6193; 30.8153; 90; 90; 90;

COD ID: 7024761

Formula: - C22 H49 Cl2 N5 Ni O10 -
Comments: Ou, Guang-Chuan; Wang, Zi-Zhou; Yang, Li-Zi; Zhao, Cun-Yuan; Lu, Tong-Bu Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations. Dalton transactions (Cambridge, England : 2003) 39(18) (2010) 4274-4279
Space group: P 41
Cell volume: 3162.1
Cell parameters: 13.4764; 13.4764; 17.411; 90; 90; 90;

COD ID: 7024763

Formula: - C22 H49 Cl2 N5 Ni O10 -
Comments: Ou, Guang-Chuan; Wang, Zi-Zhou; Yang, Li-Zi; Zhao, Cun-Yuan; Lu, Tong-Bu Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations. Dalton transactions (Cambridge, England : 2003) 39(18) (2010) 4274-4279
Space group: P 41
Cell volume: 3153.2
Cell parameters: 13.3805; 13.3805; 17.612; 90; 90; 90;

COD ID: 7025209

Formula: - C8 H9 Cl4 N4 O P3 -
Comments: Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R. Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings. Dalton transactions (Cambridge, England : 2003) 39(22) (2010) 5341-5348
Space group: P 41
Cell volume: 3126.3
Cell parameters: 13.5641; 13.5641; 16.992; 90; 90; 90;

COD ID: 7025645

Formula: - C24 H44 O8 Zn2 -
Comments: Boyle, Timothy J.; Raymond, Rebecca; Boye, Daniel M.; Ottley, Leigh Anna M.; Lu, Ping Structurally characterized luminescent lanthanide zinc carboxylate precursors for Ln-Zn-O nanomaterials. Dalton transactions (Cambridge, England : 2003) 39(34) (2010) 8050-8063
Space group: P 41
Cell volume: 3054.4
Cell parameters: 11.5433; 11.5433; 22.9224; 90; 90; 90;

COD ID: 7027252

Formula: - C54 H54 Cl8 O3 P4 Pd2 -
Comments: Blin, Joël; Braunstein, Pierre; Fischer, Jean; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Wirth, Tobias Heterobimetallic alkoxysilyl cationic complexes: investigations into the displacement of a μ-η2-Si,O bridge by functional phosphine ligands Journal of the Chemical Society, Dalton Transactions (issue 13) (1999) 2159
Space group: P 41
Cell volume: 6413
Cell parameters: 21.171; 21.171; 14.309; 90; 90; 90;

COD ID: 7029422

Formula: - C15 H20 Cl2 N2 O2 Pd -
Comments: Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction. Dalton transactions (Cambridge, England : 2003) 43(15) (2014) 5777-5784
Space group: P 41
Cell volume: 1746.53
Cell parameters: 8.8546; 8.8546; 22.276; 90; 90; 90;

COD ID: 7031783

Formula: - C37 H36 F3 N O4 P2 Ru S -
Comments: Ramaraj, A.; Nethaji, Munirathinam; Jagirdar, Balaji R. Contrasting reactivity behaviour of the [RuHCl(CO)(PNP)] complex with electrophilic reagents XOTf (X = H, CH3, Me3Si). Dalton transactions (Cambridge, England : 2003) 43(39) (2014) 14625-14635
Space group: P 41
Cell volume: 3449.5
Cell parameters: 14.9117; 14.9117; 15.5134; 90; 90; 90;

COD ID: 7032741

Formula: - C44 H42 Zn -
Comments: Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L. Ligand influences on homoleptic Group 12 m-terphenyl complexes. Dalton transactions (Cambridge, England : 2003) 43(38) (2014) 14257-14264
Space group: P 41
Cell volume: 3375.3
Cell parameters: 10.4016; 10.4016; 31.197; 90; 90; 90;

COD ID: 7035418

Formula: - C51 H63 Br2 Fe N3 O7 P2 -
Comments: Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands. Dalton transactions (Cambridge, England : 2003) 44(29) (2015) 13071-13086
Space group: P 41
Cell volume: 5343
Cell parameters: 22.454; 22.454; 10.598; 90; 90; 90;

COD ID: 7036447

Formula: - C64 H46 Cd2 N16 O9 -
Comments: Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Yang, Liu; Shao, Kui-Zhan; Su, Zhong-Min Spontaneous chiral resolution of a rare 3D self-penetration coordination polymer for sensitive aqueous-phase detection of picric acid. Dalton transactions (Cambridge, England : 2003) 44(42) (2015) 18386-18394
Space group: P 41
Cell volume: 2843
Cell parameters: 8.708; 8.708; 37.495; 90; 90; 90;

COD ID: 7038799

Formula: - C50 H96 Br2 O2 Os P2 -
Comments: Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A. Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties. Dalton transactions (Cambridge, England : 2003) 45(16) (2016) 7131-7147
Space group: P 41
Cell volume: 5501.6
Cell parameters: 16.9141; 16.9141; 19.2307; 90; 90; 90;

COD ID: 7040496

Formula: - C71 H72 Ce Cl16 Li4 N8 O4 -
Comments: Levin, Jessica R.; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J. Accessing relatively electron poor cerium(iv) hydrazido complexes by lithium cation promoted ligand reduction. Dalton transactions (Cambridge, England : 2003) 45(38) (2016) 15249-15258
Space group: P 41
Cell volume: 8136.7
Cell parameters: 13.0287; 13.0287; 47.9343; 90; 90; 90;

COD ID: 7040568

Formula: - C25 H33 Dy N8 O12 -
Comments: Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk Muffin-like lanthanide complexes with an N5O2-donor macrocyclic ligand showing field-induced single-molecule magnet behaviour. Dalton transactions (Cambridge, England : 2003) 45(38) (2016) 15114-15121
Space group: P 41
Cell volume: 2924.3
Cell parameters: 11.4177; 11.4177; 22.4321; 90; 90; 90;

COD ID: 7040569

Formula: - C25 H33 N8 O12 Tb -
Comments: Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk Muffin-like lanthanide complexes with an N5O2-donor macrocyclic ligand showing field-induced single-molecule magnet behaviour. Dalton transactions (Cambridge, England : 2003) 45(38) (2016) 15114-15121
Space group: P 41
Cell volume: 2927.4
Cell parameters: 11.4208; 11.4208; 22.4435; 90; 90; 90;

COD ID: 7042516
CIF file	Formula: - C77 H74.5 Fe N9.5 O12 - Comments: Ferranco, Annaleizle; Basak, Shibaji; Lough, Alan; Kraatz, Heinz-Bernhard Metal coordination of ferrocene-histidine conjugates. Dalton transactions (Cambridge, England : 2003) 46(14) (2017) 4844-4859 Space group: P 41 Cell volume: 14648.8 Cell parameters: 21.9756; 21.9756; 30.3333; 90; 90; 90;

COD ID: 7046576

Formula: - C22 H33 Ti -
Comments: Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Žilková, NaděŽda; Mach, Karel Hydrogenation of titanocene and zirconocene bis(trimethylsilyl)acetylene complexes. Dalton transactions (Cambridge, England : 2003) 47(27) (2018) 8921-8932
Space group: P 41
Cell volume: 7635
Cell parameters: 15.558; 15.558; 31.543; 90; 90; 90;

COD ID: 7046711

Formula: - C24 H26 Cl2 Fe N6 O8 -
Comments: García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover. Dalton transactions (Cambridge, England : 2003) 47(27) (2018) 9156-9163
Space group: P 41
Cell volume: 2711.15
Cell parameters: 9.2596; 9.2596; 31.6205; 90; 90; 90;

COD ID: 7050120

Formula: - C28 H22 N2 O2 S2 Zn -
Comments: Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products New J. Chem. 28(1) (2004) 75-84
Space group: P 41
Cell volume: 2377.3
Cell parameters: 11.383; 11.383; 18.347; 90; 90; 90;

COD ID: 7050121

Formula: - C28 H22 N2 Ni O2 S2 -
Comments: Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products New J. Chem. 28(1) (2004) 75-84
Space group: P 41
Cell volume: 2325.3
Cell parameters: 11.233; 11.233; 18.428; 90; 90; 90;

COD ID: 7051143
CIF file	Formula: - C23 H22 - Comments: Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes New Journal of Chemistry 25(7) (2001) 905 Space group: P 41 Cell volume: 1722.49 Cell parameters: 9.669; 9.669; 18.4244; 90; 90; 90;

COD ID: 7052961
CIF file	Formula: - C20 H20 N P S - Comments: Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K. N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere New Journal of Chemistry 36(11) (2012) 2280 Space group: P 41 Cell volume: 1740.77 Cell parameters: 11.8572; 11.8572; 12.3816; 90; 90; 90;

COD ID: 7054463

Formula: - C26 H30 Cd N12 O8 -
Comments: Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors New Journal of Chemistry 38(7) (2014) 3258
Space group: P 41
Cell volume: 3311
Cell parameters: 9.807; 9.807; 34.426; 90; 90; 90;

COD ID: 7054464

Formula: - C27 H31 Cd N10 O2.5 -
Comments: Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors New Journal of Chemistry 38(7) (2014) 3258
Space group: P 41
Cell volume: 3341.4
Cell parameters: 9.839; 9.839; 34.516; 90; 90; 90;

COD ID: 7055789
CIF file	Formula: - C6 H9 N3 O2 - Comments: Dîrtu, Marinela M.; Adarsh, N. N.; Naik, Anil D.; Robeyns, Koen; Garcia, Yann Supramolecular homochiral helicity and zigzag hydrogen bonded chains in 1,2,4-triazole derived aminoester and aminoacid New J. Chem. 40(11) (2016) 9025 Space group: P 41 Cell volume: 830.8 Cell parameters: 9.025; 9.025; 10.2; 90; 90; 90;

COD ID: 7105761
CIF file	Formula: - C27 H21 Cl O3 - Comments: Carlo Cassani; Xu Tian; Eduardo Escudero-Adan; Paolo Melchiorre Multiple approaches to enantiopure spirocyclic benzofuranones using organocatalytic cascade reactions Chem.Commun. 47 (2011) 233 Space group: P 41 Cell volume: 4470.4 Cell parameters: 9.3547; 9.3547; 51.084; 90; 90; 90;

COD ID: 7107187
CIF file	Formula: - C5 H8 Co N O5.5 S - Comments: Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals Chem.Commun. 48 (2012) 705 Space group: P 41 Cell volume: 809.6 Cell parameters: 12.367; 12.367; 5.2934; 90; 90; 90;

COD ID: 7107189
CIF file	Formula: - C5 H8 Co N O5.5 S - Comments: Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals Chem.Commun. 48 (2012) 705 Space group: P 41 Cell volume: 790.2 Cell parameters: 12.264; 12.264; 5.2535; 90; 90; 90;

COD ID: 7109159