Search results

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 245.9
Cell parameters: 4.994; 4.994; 11.3871; 90; 90; 120;

COD ID: 1009001

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 245.8
Cell parameters: 4.9942; 4.9942; 11.3816; 90; 90; 120;

COD ID: 1009002

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 246.1
Cell parameters: 4.997; 4.997; 11.379; 90; 90; 120;

COD ID: 1009003

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 247.3
Cell parameters: 5.007; 5.007; 11.391; 90; 90; 120;

COD ID: 1009004

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 247.6
Cell parameters: 5.011; 5.011; 11.388; 90; 90; 120;

COD ID: 1009005

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 248.5
Cell parameters: 5.017; 5.017; 11.401; 90; 90; 120;

COD ID: 1009006

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 249.5
Cell parameters: 5.025; 5.025; 11.408; 90; 90; 120;

COD ID: 1009007

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 250.3
Cell parameters: 5.033; 5.033; 11.411; 90; 90; 120;

COD ID: 1009008

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 251
Cell parameters: 5.04; 5.04; 11.408; 90; 90; 120;

COD ID: 1009009

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 252.3
Cell parameters: 5.051; 5.051; 11.421; 90; 90; 120;

COD ID: 1009010

Formula: - As Ga O4 -
Comments: Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials Journal of Solid State Chemistry 146 (1999) 114-123
Space group: P 31 2 1
Cell volume: 253.2
Cell parameters: 5.059; 5.059; 11.424; 90; 90; 120;

COD ID: 1011097
CIF file	Formula: - O2 Si - Comments: Wei, P. H. Die Bindung im Quarz Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 92 (1935) 355-362 Space group: P 31 2 1 Cell volume: 113 Cell parameters: 4.913; 4.913; 5.404; 90; 90; 120;

COD ID: 1011098
CIF file	Formula: - Te - Comments: Bradley, A J The crystal structure of tellurium Philosophical Magazine, Serie 6 (1901-1925) 48 (1924) 477-496 Space group: P 31 2 1 Cell volume: 101.8 Cell parameters: 4.454; 4.454; 5.924; 90; 90; 120;

COD ID: 1011172
CIF file	Formula: - O2 Si - Comments: Brill, R; Hermann, C; Peters, C Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung im Quarz Naturwissenschaften 27 (1939) 676-677 Space group: P 31 2 1 Cell volume: 113 Cell parameters: 4.913; 4.913; 5.405; 90; 90; 120;

COD ID: 1011369
CIF file	Formula: - Hg S - Comments: Buckley, H E; Vernon, W S The cyrstal-structures of the sulphides of mercury. Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 20 (1925) 382-392 Space group: P 31 2 1 Cell volume: 143 Cell parameters: 4.16; 4.16; 9.54; 90; 90; 120;

COD ID: 1100429
CIF file	Formula: - C28 H28 N2 O4 S2 - Comments: Bolm, Carsten; Bienewald, Frank; Harms, Klaus Syntheses and Vanadium Complex of Salen-like Bissulfoximines Synlett 1996(8) (1996) 775-776 Space group: P 31 2 1 Cell volume: 1980.19 Cell parameters: 9.951; 9.951; 23.091; 90; 90; 120;

COD ID: 1502854
CIF file	Formula: - C25 H34 N2 O5 S - Comments: Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam. Organic letters 12(8) (2010) 1668-1671 Space group: P 31 2 1 Cell volume: 3810.4 Cell parameters: 11.8548; 11.8548; 31.3077; 90; 90; 120;

COD ID: 1502978
CIF file	Formula: - C18 H6 - Comments: Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves Nanochannel array within a multilayered network of a planarized dehydro[24]annulene. Organic letters 12(10) (2010) 2346-2349 Space group: P 31 2 1 Cell volume: 1894.2 Cell parameters: 10.4772; 10.4772; 19.925; 90; 90; 120;

COD ID: 1503030
CIF file	Formula: - C41 H55 N4 O11.5 - Comments: Fairweather, Kelly A.; Sayyadi, Nima; Luck, Ian J.; Clegg, Jack K.; Jolliffe, Katrina A. Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable turn inducers. Organic letters 12(14) (2010) 3136-3139 Space group: P 31 2 1 Cell volume: 6527.5 Cell parameters: 13.4028; 13.4028; 41.9587; 90; 90; 120;

COD ID: 1503278

Formula: - C9.5 H14 N3 -
Comments: Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties. Organic letters 12(21) (2010) 5036-5039
Space group: P 31 2 1
Cell volume: 1457.1
Cell parameters: 10.477; 10.477; 15.328; 90; 90; 120;

COD ID: 1505643
CIF file	Formula: - C11 H12 F2 N2 O3 - Comments: Yang, Yan-Yan; Xu, Jun; You, Zheng-Wei; Xu, Xiu-Hua; Qiu, Xiao-Long; Qing, Feng-Ling Synthesis of 3',3'-difluoro-2'- hydroxymethyl-4',5'-unsaturated carbocyclic nucleosides. Organic letters 9(26) (2007) 5437-5440 Space group: P 31 2 1 Cell volume: 1791.7 Cell parameters: 7.7456; 7.7456; 34.484; 90; 90; 120;

COD ID: 1505727
CIF file	Formula: - B F4 Li - Comments: Matsumoto, Kazuhiko; Hagiwara, Rika; Mazej, Zoran; Goreshnik, Evgeny; Zemva, Boris Anomalously large formula unit volume and its effect on the thermal behavior of LiBF4. The journal of physical chemistry. B 110(5) (2006) 2138-2141 Space group: P 31 2 1 Cell volume: 228 Cell parameters: 4.892; 4.892; 11.002; 90; 90; 120;

COD ID: 1509885
CIF file	Formula: - Ag4 Mn3 O8 - Comments: Friese, K.; Jansen, M.; Ahlert, S. The structure of twinned Ag4 Mn3 O8, a novel octahedral framework with a topology related to the archetype cubic (10,3) net Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1525-1531 Space group: P 31 2 1 Cell volume: 2128.06 Cell parameters: 12.5919; 12.5919; 15.4978; 90; 90; 120;

COD ID: 1510796
CIF file	Formula: - B2 O3 - Comments: Lengauer, C.L.; Parthe, E.; Effenberger, H. Trigonal B2 O3 with higher space-group symmetry: results of a reevaluation Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 132 (2001) 1515-1517 Space group: P 31 2 1 Cell volume: 135.775 Cell parameters: 4.3358; 4.3358; 8.3397; 90; 90; 120;

COD ID: 1511259
CIF file	Formula: - B Nd O5 Si - Comments: Shi, Y.; Liang, J.-K.; Yang, J.-L.; Zhuang, W.D.; Rao, G.-H.; Zhang, H. Crystal structure and vibrational spectra studies of stillwellite compounds Nd B Si O5 Journal of Alloys Compd. 259 (1997) 163-169 Space group: P 31 2 1 Cell volume: 266.521 Cell parameters: 6.8035; 6.8035; 6.6487; 90; 90; 120;

COD ID: 1511289
CIF file	Formula: - B O5 P Pb - Comments: Taibi, M.; Aschehoug, P.; Ben Ali, A.; Boukhari, A.; Aride, J.; Antic-Fidancev, E.; Viana, B. Crystal structure of A B P O5 and optical study of Pr(3+) embedded in these compounds Journal of Physics: Condensed Matter 13 (2001) 9663-9671 Space group: P 31 2 1 Cell volume: 277.26 Cell parameters: 6.851; 6.851; 6.821; 90; 90; 120;

COD ID: 1511291

Formula: - B O5 P Sr -
Comments: Kniep, R.; Asbrand, M.; Kizilyalli, M.; Roehr, C.; Goezel, G.; Eisenmann, B. Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12) Angewandte Chemie (German Edition) 106 (1994) 791-793
Space group: P 31 2 1
Cell volume: 276.874
Cell parameters: 6.8488; 6.8488; 6.8159; 90; 90; 120;

COD ID: 1511396
CIF file	Formula: - B0.95 La O4.93 Si - Comments: Kajitani, T.; Takayama, K.; Ono, Y. X-ray diffraction study of La B Si O5 Journal of the Physical Society of Japan 65 (1996) 3224-3228 Space group: P 31 2 1 Cell volume: 274.709 Cell parameters: 6.839; 6.839; 6.782; 90; 90; 120;

COD ID: 1511442
CIF file	Formula: - B Ba O5 P - Comments: Rao, G.; Chen, X.; Yang, J.; Zhuang, W.; Zhang, H.; Liu, Q.; Liang, J.; Shi, Y. Crystal structure and thermal decomposition studies of barium borophosphate, Ba B P O5 Journal of Solid State Chemistry 135 (1998) 43-51 Space group: P 31 2 1 Cell volume: 305.944 Cell parameters: 7.1094; 7.1094; 6.9895; 90; 90; 120;

COD ID: 1511466

Formula: - B Ca O5 P -
Comments: Goezel, G.; Kniep, R.; Asbrand, M.; Eisenmann, B.; Roehr, C.; Kizilyalli, M. Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12) Angewandte Chemie (German Edition) 106 (1994) 791-793
Space group: P 31 2 1
Cell volume: 255.511
Cell parameters: 6.6799; 6.6799; 6.6121; 90; 90; 120;

COD ID: 1514626
CIF file	Formula: - C83 H116 Mg2 N6 O - Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383 Space group: P 31 2 1 Cell volume: 5621.7 Cell parameters: 12.0374; 12.0374; 44.799; 90; 90; 120;

COD ID: 1514845

Formula: - C76 H162 Cu6 N12 O88.66 V30 -
Comments: Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters Chemical Science 4(1) (2013) 418
Space group: P 31 2 1
Cell volume: 14554
Cell parameters: 20.411; 20.411; 40.34; 90; 90; 120;

COD ID: 1516128
CIF file	Formula: - C92 H126 Cl3 Cr2 Li N2 O5 - Comments: Chen, Hua; Dawe, Louise N.; Kozak, Christopher M. Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2 Catalysis Science & Technology 4(6) (2014) 1547 Space group: P 31 2 1 Cell volume: 7892 Cell parameters: 18.945; 18.945; 25.39; 90; 90; 120;

COD ID: 1518030
CIF file	Formula: - Al As O4 - Comments: Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale 20 (1983) 338-350 Space group: P 31 2 1 Cell volume: 244.95 Cell parameters: 5.022; 5.022; 11.215; 90; 90; 120;

COD ID: 1518031
CIF file	Formula: - Al As O4 - Comments: Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale 20 (1983) 338-350 Space group: P 31 2 1 Cell volume: 245.4 Cell parameters: 5.027; 5.027; 11.213; 90; 90; 120;

COD ID: 1518032
CIF file	Formula: - As Ga O4 - Comments: Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale 20 (1983) 338-350 Space group: P 31 2 1 Cell volume: 244.9 Cell parameters: 4.986; 4.986; 11.375; 90; 90; 120;

COD ID: 1518033
CIF file	Formula: - As Ga O4 - Comments: Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale 20 (1983) 338-350 Space group: P 31 2 1 Cell volume: 245.39 Cell parameters: 4.993; 4.993; 11.366; 90; 90; 120;

COD ID: 1518034
CIF file	Formula: - Ga O4 P - Comments: Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale 20 (1983) 338-350 Space group: P 31 2 1 Cell volume: 226.87 Cell parameters: 4.874; 4.872; 11.032; 90; 90; 120;

COD ID: 1518035
CIF file	Formula: - Ga O4 P - Comments: Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha Revue de Chimie Minerale 20 (1983) 338-350 Space group: P 31 2 1 Cell volume: 229.34 Cell parameters: 4.899; 4.899; 11.034; 90; 90; 120;

COD ID: 1518114
CIF file	Formula: - Fe O4 P - Comments: Goiffon, Aline; Jumas, Jean-Claude; Philippot, Etienne Phases de type quartz alpha ; structure de FePO4 et spectrometrie Mossbauer du fer-57 Revue de Chimie Minerale 23 (1986) 99-110 Space group: P 31 2 1 Cell volume: 245.16 Cell parameters: 5.021; 5.021; 11.229; 90; 90; 120;

COD ID: 1518115
CIF file	Formula: - Fe O4 P - Comments: Goiffon, Aline; Jumas, Jean-Claude; Philippot, Etienne Phases de type quartz alpha ; structure de FePO4 et spectrometrie Mossbauer du fer-57 Revue de Chimie Minerale 23 (1986) 99-110 Space group: P 31 2 1 Cell volume: 245.86 Cell parameters: 5.027; 5.027; 11.234; 90; 90; 120;

COD ID: 1519406
CIF file	Formula: - C35 H38 B F4 N3 O Si - Comments: Li, Guo-Tai; Gu, Qing; You, Shu-Li Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine Chem. Sci. 6(7) (2015) 4273 Space group: P 31 2 1 Cell volume: 6091.9 Cell parameters: 11.541; 11.541; 52.812; 90; 90; 120;

COD ID: 1522908
CIF file	Formula: - La0.8 Th0.2 - Comments: Sikka, S.K.; Godwal, B.K.; Vijayakumar, V. Distorted fcc high-pressure phase of rare earths in La.8 Th.2 alloy at ambient conditions - thcp versus modulated hexagonal structure Physics Letters A 108 (1985) 83-84 Space group: P 31 2 1 Cell volume: 214.919 Cell parameters: 3.71; 3.71; 18.03; 90; 90; 120;

COD ID: 1526860
CIF file	Formula: - O2 Si - Comments: Tucker, M.G.; Dove, M.T.; Keen, D.A. A detailed structural characterization of quartz on heating through the alpha - beta transition Mineralogical Magazine (1969-) 65 (2001) 489-507 Space group: P 31 2 1 Cell volume: 112.346 Cell parameters: 4.9019; 4.9019; 5.3988; 90; 90; 120;

COD ID: 1527732
CIF file	Formula: - Ce H2 Na O9 S2 - Comments: Lindgren, O. The crystal structure of sodium cerium(III) sulfate hydrate, Na Ce (S O4)2 (H2 O) Acta Chemica Scandinavica, Series A: (28,1974-) 31 (1977) 591-594 Space group: P 31 2 1 Cell volume: 550.364 Cell parameters: 7.0134; 7.0134; 12.92; 90; 90; 120;

COD ID: 1528952
CIF file	Formula: - F7 Fe Mn Na2 - Comments: Verscharen, W.; Babel, D. Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine trigonale Weberit-Variante Journal of Solid State Chemistry 24 (1978) 405-421 Space group: P 31 2 1 Cell volume: 886.526 Cell parameters: 7.488; 7.488; 18.257; 90; 90; 120;

COD ID: 1528953
CIF file	Formula: - F7 Mn Na2 V - Comments: Verscharen, W.; Babel, D. Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine trigonale Weberit-Variante Journal of Solid State Chemistry 24 (1978) 405-421 Space group: P 31 2 1 Cell volume: 887.668 Cell parameters: 7.492; 7.492; 18.261; 90; 90; 120;

COD ID: 1530002

Formula: - Al O4 P -
Comments: Goiffon, A.; Maurin, M.; Jumas, J.C.; Philippot, E. Etude comparee a diverses temperatures (173, 293 et 373 K) des structures de type quartz alpha des phases M(III) X(V) O4 (M(III) = Al, Ga et X(V) = P, As) Journal of Solid State Chemistry 61 (1986) 384-396
Space group: P 31 2 1
Cell volume: 229.53
Cell parameters: 4.927; 4.927; 10.918; 90; 90; 120;

COD ID: 1530731
CIF file	Formula: - Mn2 O7 Sb2 - Comments: Scott, H.G. Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6 Journal of Solid State Chemistry 66 (1987) 171-180 Space group: P 31 2 1 Cell volume: 779.128 Cell parameters: 7.191; 7.191; 17.398; 90; 90; 120;

COD ID: 1531230
CIF file	Formula: - Te - Comments: Bouad, N.; Chapon, L.; Marin-Ayral, R.M.; Bouree-Vigneron, F.; Tedenac, J.C. Neutron powder diffraction study of strain and crystallite size in mechanically alloyed Pb Te Journal of Solid State Chemistry 173 (2003) 189-195 Space group: P 31 2 1 Cell volume: 101.976 Cell parameters: 4.458; 4.458; 5.925; 90; 90; 120;

COD ID: 1531574
CIF file	Formula: - Cl8 K3 Tc2 - Comments: Koz'min, P.A.; Novitskaya, G.N. X-ray diffraction study of K3 (Tc2 Cl8) (H2 O)2 and Cs3 (Tc2 Cl8) (H2 O)2 Zhurnal Neorganicheskoi Khimii 17 (1972) 3138-3139 Space group: P 31 2 1 Cell volume: 1177.68 Cell parameters: 12.8; 12.8; 8.3; 90; 90; 120;

COD ID: 1531951
CIF file	Formula: - Al O4 P - Comments: Ng, H.N.; Calvo, C. X-ray study of the alpha-beta transformation of Berlinite Al P O4 Canadian Journal of Physics 54 (1976) 638-647 Space group: P 31 2 1 Cell volume: 231.641 Cell parameters: 4.94291; 4.94291; 10.94761; 90; 90; 120;

COD ID: 1532070
CIF file	Formula: - Al0.9 Ni12.54 Si8.1 - Comments: Richter, K.W. Crystal structure and phase relations of Ni13+x Aly Si9-y Journal of Alloys Compd. 338 (2002) 43-50 Space group: P 31 2 1 Cell volume: 743.834 Cell parameters: 7.653; 7.653; 14.665; 90; 90; 120;

COD ID: 1532673
CIF file	Formula: - As3 La1.5 O12 Sr1.5 Tl1.5 - Comments: Lafjij, M.; El Jouhari, N.; Wallez, G.; Benabad, A.; le Flem, G.; Gravereau, P.; Garcia, A. Structural study and luminescence of Tl Sr La (As O4)2 Materials Research Bulletin 38 (2003) 1755-1765 Space group: P 31 2 1 Cell volume: 322.138 Cell parameters: 7.3895; 7.3895; 6.8121; 90; 90; 120;

COD ID: 1532906

Formula: - Fe O4 P -
Comments: Mittal, R.; Loong, C.-K.; Kolesnikov, A.I.; Chaplot, S.L.; Kulshreshtha, S.K.; Jayakumar, O.D. Inelastic neutron scattering, lattice dynamics and synchrotron X-ray diffraction study of Fe P O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 174304-1-174304-7
Space group: P 31 2 1
Cell volume: 250.946
Cell parameters: 5.039; 5.039; 11.412; 90; 90; 120;

COD ID: 1533353

Formula: - Dy1.78 Mn0.89 O6.82 Ta1.11 -
Comments: Chen, G.; Takenoshita, H.; Satoh, H.; Kamegashira, N.; Miyamoto, M. Structural analysis of complex oxides Ln2 Mn Ta1+x O7+d (Ln = rare earth and yttrium) with pyrochlore-related structures Journal of Alloys Compd. 374 (2004) 177-180
Space group: P 31 2 1
Cell volume: 809.799
Cell parameters: 7.3872; 7.3872; 17.1351; 90; 90; 120;

COD ID: 1534002
CIF file	Formula: - Hg S0.3 Se0.7 - Comments: Kozlenko, D.P.; Glazkov, V.P.; Hull, S.; Savenko, B.N.; Shchennikov, V.V.; Voronin, V.I. Structural study of ternary mercury chalcogenides at high pressures Appl. Phys. A 74 (2002) S983-S985 Space group: P 31 2 1 Cell volume: 140.579 Cell parameters: 4.128; 4.128; 9.526; 90; 90; 120;

COD ID: 1534008
CIF file	Formula: - Hg S0.15 Te0.85 - Comments: Kozlenko, D.P.; Glazkov, V.P.; Hull, S.; Savenko, B.N.; Shchennikov, V.V.; Voronin, V.I. Structural study of ternary mercury chalcogenides at high pressures Appl. Phys. A 74 (2002) S983-S985 Space group: P 31 2 1 Cell volume: 167.575 Cell parameters: 4.415; 4.415; 9.927; 90; 90; 120;

COD ID: 1534711
CIF file	Formula: - Se - Comments: Avilov, A.S.; Imamov, R.M. The structure of selenium Kristallografiya 14 (1969) 330-331 Space group: P 31 2 1 Cell volume: 78.303 Cell parameters: 4.3; 4.3; 4.89; 90; 90; 120;

COD ID: 1535361
CIF file	Formula: - C0.51 N0.12 Ti - Comments: Tashmetov, M.Yu.; Em, V.T.; Mukhtarova, N.N. Trigonal ordered structure in titanium carbonitride Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 32 (1996) 171-172 Space group: P 31 2 1 Cell volume: 120.549 Cell parameters: 3.057; 3.057; 14.895; 90; 90; 120;

COD ID: 1536737
CIF file	Formula: - As5 Ba2 Rb - Comments: Emmerling, F.; Petri, D.; Roehr, C. Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2490-2501 Space group: P 31 2 1 Cell volume: 750.914 Cell parameters: 7.7844; 7.7844; 14.309; 90; 90; 120;

COD ID: 1537223
CIF file	Formula: - Be F2 - Comments: Lacks, D.J.; Gordon, R.G. Crystal-structure calculations with distorted ions Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 2889-2908 Space group: P 31 2 1 Cell volume: 98.686 Cell parameters: 4.688; 4.688; 5.185; 90; 90; 120;

COD ID: 1537224
CIF file	Formula: - O2 Ti - Comments: Lacks, D.J.; Gordon, R.G. Crystal-structure calculations with distorted ions Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 2889-2908 Space group: P 31 2 1 Cell volume: 148.689 Cell parameters: 5.291; 5.291; 6.133; 90; 90; 120;

COD ID: 1540010
CIF file	Formula: - Ba O2 Zn - Comments: von Schnering, H.G.; Hoppe, R.; Zemann, J. Die Kristallstruktur des Ba Zn O2 Zeitschrift fuer Anorganische und Allgemeine Chemie 305 (1960) 241-254 Space group: P 31 2 1 Cell volume: 202.043 Cell parameters: 5.886; 5.886; 6.734; 90; 90; 120;

COD ID: 1540227
CIF file	Formula: - C3.75 Ti6 - Comments: Khaenko, B.V.; Kukol', V.V. Real order structure of titanium carbide Kristallografiya 34 (1989) 1513-1517 Space group: P 31 2 1 Cell volume: 120.907 Cell parameters: 3.06; 3.06; 14.91; 90; 90; 120;

COD ID: 1542919

Formula: - B3 Ba2.76 Eu0.24 O15 P3 -
Comments: Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+ Science of Advanced Materials 8(5) (2016) 1086-1092
Space group: P 31 2 1
Cell volume: 305.424
Cell parameters: 7.104645; 7.104645; 6.986941; 90; 90; 120;

COD ID: 1548032
CIF file	Formula: - C5 H7 N8 O0.5 Zn - Comments: Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications 6 (2015) 8697 Space group: P 31 2 1 Cell volume: 1635.8 Cell parameters: 9.6767; 9.6767; 20.172; 90; 90; 120;

COD ID: 1548033
CIF file	Formula: - C5 H6 N8 Zn - Comments: Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications 6 (2015) 8697 Space group: P 31 2 1 Cell volume: 1638.7 Cell parameters: 9.6963; 9.6963; 20.126; 90; 90; 120;

COD ID: 1548034
CIF file	Formula: - C5.7 H8.09 N8 Zn - Comments: Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications 6 (2015) 8697 Space group: P 31 2 1 Cell volume: 1635.4 Cell parameters: 9.663; 9.663; 20.224; 90; 90; 120;

COD ID: 1548035
CIF file	Formula: - C5.78 H7.56 N8 Zn - Comments: Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications 6 (2015) 8697 Space group: P 31 2 1 Cell volume: 1638.6 Cell parameters: 9.6896; 9.6896; 20.153; 90; 90; 120;

COD ID: 1548036
CIF file	Formula: - C5.13 H6 N8 O0.27 Zn - Comments: Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications 6 (2015) 8697 Space group: P 31 2 1 Cell volume: 1660.9 Cell parameters: 9.7682; 9.7682; 20.1; 90; 90; 120;

COD ID: 1549270

Formula: - C32 H33 N O3 -
Comments: Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L. Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations. Chemical science 9(20) (2018) 4644-4649
Space group: P 31 2 1
Cell volume: 3885.8
Cell parameters: 12.0961; 12.0961; 30.6664; 90; 90; 120;

COD ID: 1552956

Formula: - C7 H9.37 Fe O8.18 -
Comments: Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink. Analytical chemistry 88(10) (2016) 5152-5158
Space group: P 31 2 1
Cell volume: 724.1
Cell parameters: 8.7445; 8.7445; 10.935; 90; 90; 120;

COD ID: 1553400

Formula: - C25 H28 O9 -
Comments: Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J. Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton. Journal of natural products 81(10) (2018) 2244-2250
Space group: P 31 2 1
Cell volume: 3534.27
Cell parameters: 11.6878; 11.6878; 29.8747; 90; 90; 120;

COD ID: 1554047

Formula: - C48 H42 O6 -
Comments: Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry Unusual Chiroptical Properties of the Cryptophane-222 Skeleton. The journal of physical chemistry. B 120(49) (2016) 12650-12659
Space group: P 31 2 1
Cell volume: 3217.3
Cell parameters: 11.5313; 11.5313; 27.9387; 90; 90; 120;

COD ID: 1555274

Formula: - C9 H10 O8 -
Comments: Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I. Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights Chemical Science 10(43) (2019) 9988
Space group: P 31 2 1
Cell volume: 2293.2
Cell parameters: 16.5141; 16.5141; 9.7096; 90; 90; 120;

COD ID: 1557058

Formula: - C36.5 H57 B Cl F4 N4 P4 Rh -
Comments: Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates Catalysis Science & Technology 10(3) (2020) 630-634
Space group: P 31 2 1
Cell volume: 6635
Cell parameters: 13.824; 13.824; 40.089; 90; 90; 120;

COD ID: 1558667

Formula: - C24.38 H28.5 F1.5 N3 O5.62 -
Comments: Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development (2020)
Space group: P 31 2 1
Cell volume: 5035.4
Cell parameters: 20.704; 20.704; 13.5643; 90; 90; 120;

COD ID: 1558669

Formula: - C24.75 H29.25 F1.5 N3 O5.62 -
Comments: Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development (2020)
Space group: P 31 2 1
Cell volume: 5070.9
Cell parameters: 20.7; 20.7; 13.6652; 90; 90; 120;

COD ID: 1559676

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2168.42
Cell parameters: 13.7702; 13.7702; 13.2048; 90; 90; 120;

COD ID: 1559677

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2216.4
Cell parameters: 13.9775; 13.9775; 13.0994; 90; 90; 120;

COD ID: 1559679

Formula: - C16 H6 Cd N2 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2463.14
Cell parameters: 14.9689; 14.9689; 12.6934; 90; 90; 120;

COD ID: 1559681

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2247
Cell parameters: 14.0982; 14.0982; 13.0538; 90; 90; 120;

COD ID: 1559682

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2124.9
Cell parameters: 13.6191; 13.6191; 13.2288; 90; 90; 120;

COD ID: 1559683

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2298.6
Cell parameters: 14.366; 14.366; 12.8607; 90; 90; 120;

COD ID: 1559684

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2276.1
Cell parameters: 14.218; 14.218; 13.0014; 90; 90; 120;

COD ID: 1559685

Formula: - C16 H6 Cd N2 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2340
Cell parameters: 14.515; 14.515; 12.8247; 90; 90; 120;

COD ID: 1559686

Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2209.89
Cell parameters: 13.9484; 13.9484; 13.1157; 90; 90; 120;

COD ID: 1559687

Formula: - C16 H6 Cd N2 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2438.2
Cell parameters: 14.8744; 14.8744; 12.7248; 90; 90; 120;

COD ID: 1559688

Formula: - C16 H6 Cd N2 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2450.94
Cell parameters: 14.921; 14.921; 12.7118; 90; 90; 120;

COD ID: 1560571

Formula: - O4 P Sm -
Comments: Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy) Journal of Solid State Chemistry 249 (2017) 221-227
Space group: P 31 2 1
Cell volume: 273.342
Cell parameters: 7.038998; 7.038998; 6.370215; 90; 90; 120;

COD ID: 1561477

Formula: - C32 H60 N12 O16 Zn2 -
Comments: ICHIMARU, Yoshimi; JIN, Wanchun; YAMAGUCHI, Yoshihiro; SUGIURA, Kirara; IMAI, Masanori; KUROSAKI, Hiromasa; FUJIOKA, Haruto; KOIKE, Tohru; HIEDA, Yuhzo; KATO, Koichi Crystal Structure of [11,14,17,110,51,54,57,510-Octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II) tetrakis(nitrate), [m,m-bis(ZnII-cyclen)](NO3)4 X-ray Structure Analysis Online 37 (2021) 15-16
Space group: P 31 2 1
Cell volume: 3101.72
Cell parameters: 8.9788; 8.9788; 44.4258; 90; 90; 120;

COD ID: 1563323
CIF file	Formula: - C16 H18 Cl N O3.25 Os - Comments: Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells Chemical Science (2021) Space group: P 31 2 1 Cell volume: 2366.77 Cell parameters: 12.3794; 12.3794; 17.8331; 90; 90; 120;

COD ID: 1566003

Formula: - C32.5 H58.5 B1.5 Na Nd O8 -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 31 2 1
Cell volume: 5706.3
Cell parameters: 13.8957; 13.8957; 34.124; 90; 90; 120;

COD ID: 1566427
CIF file	Formula: - C30 H29 N O S - Comments: Zhang, Qiu-Chi; Xue, Xiaoping; Hong, Biqiong; Gu, Zhenhua Torsional Strain Inversed Chemoselectivity in Pd-Catalyzed Atroposelective Carboxylation Reaction of Dibenzothiophenium Chemical Science (2022) Space group: P 31 2 1 Cell volume: 3726.2 Cell parameters: 10.0094; 10.0094; 42.946; 90; 90; 120;

COD ID: 1567635
CIF file	Formula: - C24.24 H31.47 N3.18 O7.38 Zn2 - Comments: Siegelman, Rebecca L.; Thompson, Joshua A.; Mason, Jarad; McDonald, Thomas M.; Long, Jeffrey R. A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas Chemical Science (2022) Space group: P 31 2 1 Cell volume: 2790.4 Cell parameters: 21.5982; 21.5982; 6.9071; 90; 90; 120;

COD ID: 1568325

Formula: - C8 H44 B40 Cu4 S4 -
Comments: Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence. Chemical science 14(6) (2023) 1613-1626
Space group: P 31 2 1
Cell volume: 3333.4
Cell parameters: 11.4344; 11.4344; 29.4398; 90; 90; 120;

COD ID: 1570278
CIF file	Formula: - C42 H62 O6.5 - Comments: Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta Crystal Structure and Intermolecular Energy for Some Nandrolone Esters. Molecules (Basel, Switzerland) 28(20) (2023) 7179 Space group: P 31 2 1 Cell volume: 2932.16 Cell parameters: 7.761; 7.761; 56.211; 90; 90; 120;

COD ID: 1571126
CIF file	Formula: - C54 H64 O8 - Comments: Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran. Molecules (Basel, Switzerland) 29(3) (2024) 719 Space group: P 31 2 1 Cell volume: 5245.5 Cell parameters: 21.174; 21.174; 13.5099; 90; 90; 120;

COD ID: 1571375

Formula: - C25 H25.17 N O2.08 -
Comments: Chen, Bin; Pan, Bendu; He, Xiaobo; Jiang, Long; Chan, Albert S. C.; Qiu, Liqin Access to Chiral Dihydrophenanthridines via a Palladium (0)-Catalyzed Suzuki Coupling and C-H Arylation Cascade Reaction Using New Chiral-Bridged Biphenyl Bifunctional Ligands Chemical Science (2024)
Space group: P 31 2 1
Cell volume: 2931.65
Cell parameters: 11.43405; 11.43405; 25.89293; 90; 90; 120;

COD ID: 1571444
CIF file	Formula: - C2.57 H3.86 Cu0.14 N0.86 O0.86 - Comments: Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M.; Kumar, Jatish Engineering copper plasmonic chirality via ligand-induced dissolution for enantioselective recognition of amino acids Chemical Science (2024) Space group: P 31 2 1 Cell volume: 3245.6 Cell parameters: 10.8811; 10.8811; 31.653; 90; 90; 120;

COD ID: 2000053

Formula: - C20 H29 Cl N2 O2 Pd -
Comments: Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A. A coordination compound of (‒)-ephedrine and palladium(II) Acta Crystallographica, Section C: Crystal Structure Communications 55(12) (1999) 2028-2030
Space group: P 31 2 1
Cell volume: 3516.83
Cell parameters: 10.734; 10.734; 35.245; 90; 90; 120;

COD ID: 2001521
CIF file Original IUCr paper	Formula: - C20 Co6 O18 - Comments: Geiser, U.; Kini, A. M. Structure of the trigonal phase of bis(methinyltricobaltenneacarbonyl), [CCo~3~(CO)~9~]~2~ Acta Crystallographica Section C 49(7) (1993) 1322-1324 Space group: P 31 2 1 Cell volume: 2102.2 Cell parameters: 9.71; 9.71; 25.746; 90; 90; 120;

COD ID: 2001717
CIF file Original IUCr paper	Formula: - C21 H29 Cl N2 O - Comments: Marsh, R. E. On the structure of 9-amino-2,7-di-<i>tert</i>-butylacridine Acta Crystallographica Section C 49(1) (1993) 193 Space group: P 31 2 1 Cell volume: 1529.1 Cell parameters: 11.086; 11.086; 14.367; 90; 90; 120;

COD ID: 2001911
CIF file Original IUCr paper	Formula: - C56 H72 O8 - Comments: Ferguson, G.; Gallagher, J. F.; McKervey, M. A. Tetramethyl <i>tert</i>-butylcalix[4]arene tetraketone Acta Crystallographica Section C 49(3) (1993) 602-604 Space group: P 31 2 1 Cell volume: 3750 Cell parameters: 12.971; 12.971; 25.74; 90; 90; 120;

COD ID: 2002855
CIF file	Formula: - Cl Cu O2 Sr2 - Comments: Mueller-Buschbaum, Hk; Leib, W Ueber Oxocuprate, XXVI: Synthese und Struktur eines Oxohalogenocuprat(I): Sr2 Cu O2 Cl Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 116 (1985) 1-5 Space group: P 31 2 1 Cell volume: 384.1 Cell parameters: 4.003; 4.003; 27.67899; 90; 90; 120;

COD ID: 2003929
CIF file Original IUCr paper	Formula: - C16 H32 Cl2 N12 O8 Pt - Comments: Sinur, A.; Grabner, S. A Platinum(II) Diammine Complex: <i>cis</i>-[Pt(C~8~H~11~N~5~O~3~)~2~(NH~3~)~2~]Cl~2~.2H~2~O Acta Crystallographica Section C 51(9) (1995) 1769-1772 Space group: P 31 2 1 Cell volume: 4377 Cell parameters: 20.27; 20.27; 12.3; 90; 90; 120;

COD ID: 2004311
CIF file Original IUCr paper	Formula: - C10 H18 Br4 N8 S2 Zn - Comments: Salas, J. M.; Romero, M. A.; Faure, R. Bis(4,6-diamino-2-methylthiopyrimidinium) Tetrabromozincate(II) Acta Crystallographica Section C 51(12) (1995) 2532-2534 Space group: P 31 2 1 Cell volume: 1661.5 Cell parameters: 8.79; 8.79; 24.831; 90; 90; 120;

COD ID: 2005488
CIF file Original IUCr paper	Formula: - C26 H18 Fe O4 - Comments: Ferguson, G.; Glidewell, C.; Royles, B. J. L.; Smith, D. M. 1,1'-Ferrocenediylbis(2-phenylethanedione): a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds Acta Crystallographica Section C 52(10) (1996) 2465-2468 Space group: P 31 2 1 Cell volume: 1525 Cell parameters: 8.1765; 8.1765; 26.34; 90; 90; 120;

COD ID: 2007297
CIF file Original IUCr paper	Formula: - C13 H20 N O2 P S - Comments: Hommer, Herbert; Domínguez, Zaira; Gordillo, Bárbara (4<i>S</i>,6<i>S</i>,11<i>R</i>)-(+)-<i>trans</i>-4,6-Dimethyl-2-(1-phenylethylamino)-2-thio-1,3,2λ^5^-dioxaphosphorinane Acta Crystallographica Section C 54(6) (1998) 832-834 Space group: P 31 2 1 Cell volume: 2291.2 Cell parameters: 9.921; 9.921; 26.88; 90; 90; 120;

COD ID: 2007501
CIF file Original IUCr paper	Formula: - C44.42 H60.84 O17.71 - Comments: Baxter, Robert L.; Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon β-Dihydroentandrophragmin‒Ethyl Acetate (1/0.355) Acta Crystallographica Section C 54(8) (1998) 1182-1184 Space group: P 31 2 1 Cell volume: 6629.4 Cell parameters: 11.0341; 11.0341; 62.874; 90; 90; 120;

COD ID: 2009275

Formula: - C20 H29 Cl N2 O2 Pd -
Comments: Bouquillon, Sandrine; du Moulinet d'Hardemare, Amaury; Averbuch-Pouchot, Marie-Thérèse; Hénin, Françoise; Muzart, Jacques; Durif, André A coordination compound of (-)-ephedrine and palladium(II) Acta Crystallographica Section C 55 (1999) 2028-2030
Space group: P 31 2 1
Cell volume: 3517
Cell parameters: 10.734; 10.734; 35.245; 90; 90; 120;

COD ID: 2009765
CIF file Original IUCr paper	Formula: - H2 La Na O9 S2 - Comments: Blackburn, A.C.; Gerkin, R.E. Sodium lanthanum(III) sulfate monohydrate, NaLa(SO~4~)~2~.H~2~O Acta Crystallographica Section C 50(6) (1994) 835-838 Space group: P 31 2 1 Cell volume: 559.05 Cell parameters: 7.0557; 7.0557; 12.9669; 90; 90; 120;

COD ID: 2011949

Formula: - C30 H48 O3 -
Comments: Mora, Asiloé J.; Delgado, Gerzon; Delgado, Graciela Díaz de; Usubillaga, Alfredo; Khouri, Nancy; Bahsas, Ali 3α-Hydroxytirucalla-7,24-dien-21-oic acid: a triterpene from Protium crenatum Sandwith Acta Crystallographica Section C 57(5) (2001) 638-640
Space group: P 31 2 1
Cell volume: 4114.4
Cell parameters: 11.3717; 11.3717; 36.739; 90; 90; 120;

COD ID: 2012328
CIF file Original IUCr paper	Formula: - Ca1.73 Ge3 Na2.54 O9 - Comments: Nishi, Fumito Trigonal sodium calcium germanate, Na~2.54~Ca~1.73~Ge~3~O~9~ Acta Crystallographica Section C 57(11) (2001) 1231-1233 Space group: P 31 2 1 Cell volume: 1353.5 Cell parameters: 10.78; 10.78; 13.449; 90; 90; 120;

COD ID: 2015875

Formula: - C10 H20 N2 Ni O9 S2 -
Comments: M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio An unusual P3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain Acta Crystallographica Section C 63(4) (2007) m153-m156
Space group: P 31 2 1
Cell volume: 1241.2
Cell parameters: 11.3363; 11.3363; 11.1523; 90; 90; 120;

COD ID: 2015876

Formula: - C11 H22 N2 Ni O10 S -
Comments: M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio An unusual P3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain Acta Crystallographica Section C 63(4) (2007) m153-m156
Space group: P 31 2 1
Cell volume: 2612.5
Cell parameters: 11.2916; 11.2916; 23.66; 90; 90; 120;

COD ID: 2020133
CIF file	Formula: - Ca H1.6 O4.8 S - Comments: Abriel, W. Calcium Sulfat Subhydrat, Ca S O4 (H2 O).8 Acta Crystallographica C (39,1983-) 39 (1983) 956-958 Space group: P 31 2 1 Cell volume: 269.529 Cell parameters: 6.968; 6.968; 6.41; 90; 90; 120;

COD ID: 2020170
CIF file	Formula: - Cd H8 N4 O12 Sr - Comments: Aoyama, T.; Ohba, S.; Saito, Y. Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate. Acta Crystallographica C (39,1983-) 44 (1988) 1703-1707 Space group: P 31 2 1 Cell volume: 945.111 Cell parameters: 7.6379; 7.6379; 18.707; 90; 90; 120;

COD ID: 2020222
CIF file	Formula: - Te - Comments: Adenis, C.; Langer, V.; Lindqvist, O. Reinvestigation of the structure of tellurium Acta Crystallographica C (39,1983-) 45 (1989) 941-942 Space group: P 31 2 1 Cell volume: 101.816 Cell parameters: 4.456; 4.456; 5.921; 90; 90; 120;

COD ID: 2022614

Formula: - C20 H28 Cl O2.5 -
Comments: Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C 78(5) (2022) 305-313
Space group: P 31 2 1
Cell volume: 2767.58
Cell parameters: 10.5989; 10.5989; 28.4478; 90; 90; 120;

COD ID: 2100205

Formula: - B4 Fe3 Gd O12 -
Comments: Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M. Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4 Acta Crystallographica, Section B: Structural Science 61(5) (2005) 481-485
Space group: P 31 2 1
Cell volume: 593.73
Cell parameters: 9.5305; 9.5305; 7.5479; 90; 90; 120;

COD ID: 2102615
CIF file Original IUCr paper	Formula: - C13.08 H25 N3 O6 - Comments: Görbitz, Carl Henrik A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine Acta Crystallographica Section B 60(5) (2004) 569-577 Space group: P 31 2 1 Cell volume: 2578.4 Cell parameters: 16.0682; 16.0682; 11.5317; 90; 90; 120;

COD ID: 2103346
CIF file Original IUCr paper	Formula: - C15 H21 Br O3 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 2194.67 Cell parameters: 7.59; 7.59; 43.99; 90; 90; 120;

COD ID: 2103348
CIF file Original IUCr paper	Formula: - C18 H18 Cu N2 Ni O9 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1394.29 Cell parameters: 12.8071; 12.8071; 9.8157; 90; 90; 120;

COD ID: 2103350
CIF file Original IUCr paper	Formula: - C22 H28 Fe2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1416.67 Cell parameters: 8.059; 8.059; 25.187; 90; 90; 120;

COD ID: 2103351
CIF file Original IUCr paper	Formula: - C24 H20 Cl2 N4 Pd - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1687.11 Cell parameters: 9.136; 9.136; 23.34; 90; 90; 120;

COD ID: 2103352
CIF file Original IUCr paper	Formula: - C20 H38 Cl P S - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1673.81 Cell parameters: 8.518; 8.518; 26.638; 90; 90; 120;

COD ID: 2103355
CIF file Original IUCr paper	Formula: - C21 H51 O8 P5 Pd5 S4 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1988.42 Cell parameters: 10.749; 10.749; 19.872; 90; 90; 120;

COD ID: 2103360
CIF file Original IUCr paper	Formula: - C34 H48 Co N2 O2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 2370.39 Cell parameters: 8.971; 8.971; 34.01; 90; 90; 120;

COD ID: 2103365
CIF file Original IUCr paper	Formula: - C32 H40 Er F12 Na O8 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 3128.26 Cell parameters: 13.114; 13.114; 21.004; 90; 90; 120;

COD ID: 2103368
CIF file Original IUCr paper	Formula: - C61 H52 Mo2 O8 P2 S2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 4164.27 Cell parameters: 11.034; 11.034; 39.495; 90; 90; 120;

COD ID: 2103369
CIF file Original IUCr paper	Formula: - C35 H37 Fe2 N5 O11 S2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 3508.93 Cell parameters: 19.406; 19.406; 10.759; 90; 90; 120;

COD ID: 2103373
CIF file Original IUCr paper	Formula: - C20 H22 N4 O2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1441.57 Cell parameters: 9.28; 9.28; 19.329; 90; 90; 120;

COD ID: 2103380
CIF file Original IUCr paper	Formula: - C10 H20 Co N2 O9.5 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1046.27 Cell parameters: 11.053; 11.053; 9.889; 90; 90; 120;

COD ID: 2103383
CIF file Original IUCr paper	Formula: - C24 H38 N2 O2 Os - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1775.85 Cell parameters: 8.539; 8.539; 28.123; 90; 90; 120;

COD ID: 2103385
CIF file Original IUCr paper	Formula: - C18 H18 N2 O2 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: P 31 2 1 Cell volume: 1163.01 Cell parameters: 12.846; 12.846; 8.138; 90; 90; 120;

COD ID: 2103844

Formula: - C20 H24 N2 O4 -
Comments: Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher (1R,3S)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines Acta Crystallographica Section B 59(1) (2003) 118-131
Space group: P 31 2 1
Cell volume: 1347.3
Cell parameters: 6.7302; 6.7302; 34.345; 90; 90; 120;

COD ID: 2104859

Formula: - C15 H21 Cl N2 S -
Comments: Plutecka, Agnieszka; Rychlewska, Urszula; Prusinowska, Natalia; Gawroński, Jacek Solid solution of two diastereomers of [3a(R,S),7a(R,S)]-3-[(1'R)-1-phenylethyl]perhydro-1,3-benzothiazol-2-iminium chloride Acta Crystallographica Section B 66(6) (2010) 678-686
Space group: P 31 2 1
Cell volume: 2306.59
Cell parameters: 9.0538; 9.0538; 32.4921; 90; 90; 120;

COD ID: 2106932
CIF file	Formula: - Fe7 S8 - Comments: Keller-Besrest, F.; Collin, G. Structure and planar faults in the defective Ni As-type compound 3c Fe7 S8 Acta Crystallographica B (39,1983-) 39 (1982) 296-303 Space group: P 31 2 1 Cell volume: 697.637 Cell parameters: 6.866; 6.866; 17.088; 90; 90; 120;

COD ID: 2108217

Formula: - B4 Bi0.056 Fe3 O12 Y0.944 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: P 31 2 1
Cell volume: 591.638
Cell parameters: 9.5161; 9.5161; 7.5441; 90; 90; 120;

COD ID: 2108218

Formula: - B4 Bi0.053 Fe3 O12 Y0.947 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: P 31 2 1
Cell volume: 592.607
Cell parameters: 9.5191; 9.5191; 7.5517; 90; 90; 120;

COD ID: 2108219

Formula: - B4 Bi0.054 Fe3 O12 Y0.946 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: P 31 2 1
Cell volume: 594.045
Cell parameters: 9.5261; 9.5261; 7.5589; 90; 90; 120;

COD ID: 2108220

Formula: - B4 Bi0.05 Fe3 O12 Y0.95 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: P 31 2 1
Cell volume: 592.92
Cell parameters: 9.5194; 9.5194; 7.5552; 90; 90; 120;

COD ID: 2108221

Formula: - B4 Bi0.05 Fe3 O12 Y0.95 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: P 31 2 1
Cell volume: 594.295
Cell parameters: 9.5259; 9.5259; 7.5624; 90; 90; 120;

COD ID: 2108222

Formula: - B4 Bi0.053 Fe3 O12 Y0.947 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: P 31 2 1
Cell volume: 593.696
Cell parameters: 9.5245; 9.5245; 7.557; 90; 90; 120;

COD ID: 2108227

Formula: - B4 Bi0.05 Fe3 O12 Y0.95 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: P 31 2 1
Cell volume: 590.912
Cell parameters: 9.5131; 9.5131; 7.5396; 90; 90; 120;

COD ID: 2108228

Formula: - B4 Bi0.058 Fe3 O12 Y0.942 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: P 31 2 1
Cell volume: 593.167
Cell parameters: 9.5217; 9.5217; 7.5547; 90; 90; 120;

COD ID: 2108502

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: P 31 2 1
Cell volume: 591.36
Cell parameters: 9.5177; 9.5177; 7.538; 90; 90; 120;

COD ID: 2108503

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: P 31 2 1
Cell volume: 592.997
Cell parameters: 9.5245; 9.5245; 7.5481; 90; 90; 120;

COD ID: 2108504

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: P 31 2 1
Cell volume: 594.514
Cell parameters: 9.5291; 9.5291; 7.5601; 90; 90; 120;

COD ID: 2108505

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: P 31 2 1
Cell volume: 594.749
Cell parameters: 9.5301; 9.5301; 7.5615; 90; 90; 120;

COD ID: 2200745

Formula: - Hg3 O6 S -
Comments: Weil, Matthias Schuetteite, Hg~3~(SO~4~)O~2~, a re-investigation Acta Crystallographica Section E 57(11) (2001) i98-i100
Space group: P 31 2 1
Cell volume: 430.28
Cell parameters: 7.0429; 7.0429; 10.0166; 90; 90; 120;

COD ID: 2201295

Formula: - C4 H10 Li N O5 -
Comments: Henderson, Wesley A.; Brooks, Neil R.; Smyrl, William H. Polymeric [Li(NO~3~)(monoglyme)]~n~ Acta Crystallographica Section E 58(9) (2002) m500-m501
Space group: P 31 2 1
Cell volume: 1166.26
Cell parameters: 7.4925; 7.4925; 23.989; 90; 90; 120;

COD ID: 2202447

Formula: - C32 H49 Cl O9 -
Comments: Philip J. Kuehl; Carducci, Michael D.; Paul B. Myrdal An ethanol solvate of Beclomethasone dipropionate Acta Crystallographica Section E 59(12) (2003) o1888-o1890
Space group: P 31 2 1
Cell volume: 4890.6
Cell parameters: 13.4869; 13.4869; 31.046; 90; 90; 120;

COD ID: 2202639

Formula: - C34 H51 Cl F4 O9 -
Comments: Julie A. Harris; Carducci, Michael D.; Myrdal, Paul B. Beclomethasone dipropionate crystallized from HFA-134a and ethanol Acta Crystallographica Section E 59(11) (2003) o1631-o1633
Space group: P 31 2 1
Cell volume: 4885.5
Cell parameters: 13.4642; 13.4642; 31.1187; 90; 90; 120;

COD ID: 2206101

Formula: - C7 H3 N2 Na O6 -
Comments: Jones, Helen P.; Gillon, Amy L.; Davey, Roger J. Sodium 3,5-dinitrobenzoate Acta Crystallographica Section E 61(6) (2005) m1131-m1132
Space group: P 31 2 1
Cell volume: 638.15
Cell parameters: 10.7701; 10.7701; 6.3526; 90; 90; 120;

COD ID: 2213057

Formula: - C32 H44 N2 O8 -
Comments: Wang, Yun-Pu; Sun, Wen-Xiu; Zhang, Ji; Liu, Han-Shi; Wen, Hui-Hui Lappaconitine Acta Crystallographica Section E 63(4) (2007) o1645-o1647
Space group: P 31 2 1
Cell volume: 4493
Cell parameters: 10.8279; 10.8279; 44.2504; 90; 90; 120;

COD ID: 2214391

Formula: - C72 H70 F12 N8 O2 P2 Pd2 -
Comments: Hai-Ping Huang; Li-Xia Liu Bis(μ-4-benzyl-3,5-diphenylpyrazolato-κ^2^N:N')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')palladium(II)] bis(hexafluorophosphate) diethyl ether monosolvate monohydrate Acta Crystallographica Section E 63(7) (2007) m1875-m1876
Space group: P 31 2 1
Cell volume: 5458.29
Cell parameters: 22.1138; 22.1138; 12.8884; 90; 90; 120;

COD ID: 2219917

Formula: - C38 H32 Cd N6 O8 -
Comments: Chen, Yu-Ting; Li, Da-Cheng Bis[2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazitato]dipyridinecadmium(II) Acta Crystallographica Section E 64(11) (2008) m1466
Space group: P 31 2 1
Cell volume: 2660
Cell parameters: 13.038; 13.038; 18.069; 90; 90; 120;

COD ID: 2219995

Formula: - C32 H53 N3 O6 -
Comments: Xu, Wen Jie; Liao, Xiao Jian; Diao, Jian Zhong; Zhou, Lei; Xu, Shi Hai N-{N-[N-(1,1-Dimethylethoxycarbonyl)-L-leucyl]-N-methyl-L-leucyl}-N-methyl-L-leucine benzyl ester Acta Crystallographica Section E 64(11) (2008) o2178
Space group: P 31 2 1
Cell volume: 5157.1
Cell parameters: 13.9784; 13.9784; 30.4763; 90; 90; 120;

COD ID: 2224030

Formula: - C25 H28 N4 O6 -
Comments: Benzeid, Hanane; Saffon, Nathalie; Garrigues, Bernard; Essassi, El Mokhtar; Ng, Seik Weng 10,10'-Methylenebis[2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H,11aH)-dione] dihydrate Acta Crystallographica Section E 65(11) (2009) o2684
Space group: P 31 2 1
Cell volume: 1693.9
Cell parameters: 11.9901; 11.9901; 13.6054; 90; 90; 120;

COD ID: 2224604

Formula: - C32 H40 Ba Co N4 O10 S4 -
Comments: Cao, Zhiqiang; Liu, Kai; Niu, Meiju; Wang, Daqi Bis(benzo-15-crown-5-κ^5^O)barium tetrakis(isothiocyanato-κN)cobaltate(II) Acta Crystallographica Section E 66(1) (2010) m68
Space group: P 31 2 1
Cell volume: 3254.7
Cell parameters: 12.5772; 12.5772; 23.758; 90; 90; 120;

COD ID: 2225097

Formula: - C14 H20 N3 O7.5 -
Comments: Chen, Hua-Feng; Bai, Xue; Zhang, Kuan; Li, Ying; Yin, Shu-Fan 1-[4-(β-D-Allopyranosyloxy)benzylidene]semicarbazide hemihydrate Acta Crystallographica Section E 66(2) (2010) o321
Space group: P 31 2 1
Cell volume: 2391.9
Cell parameters: 8.6373; 8.6373; 37.021; 90; 90; 120;

COD ID: 2226677

Formula: - C15 H18 Cl5 Mo N3 O2 -
Comments: Fernandes, José A.; Gomes, Ana C.; Figueiredo, Sónia; Gago, Sandra; Ribeiro-Claro, Paulo J. A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A. Tripyridinium cis-tetrachloridodioxidomolybdate(VI) chloride Acta Crystallographica Section E 66(7) (2010) m862-m863
Space group: P 31 2 1
Cell volume: 3310.29
Cell parameters: 11.3972; 11.3972; 29.4265; 90; 90; 120;

COD ID: 2229670

Formula: - C30 H48 O3 -
Comments: Yousuf, S.; Kamdem, R. S. T.; Ngadjui, B. T.; Wafo, P.; Fun, Hoong-Kun 3α-Hydroxytirucalla-8,24-dien-21-oic acid Acta Crystallographica Section E 67(4) (2011) o937-o938
Space group: P 31 2 1
Cell volume: 4043.45
Cell parameters: 11.2794; 11.2794; 36.6986; 90; 90; 120;

COD ID: 2229827

Formula: - C30 H46.9 F0.1 O2.9 -
Comments: Yousuf, S.; Kamdem, R. S. T.; Wafo, P.; Ngadjui, B. T.; Fun, Hoong-Kun A cocrystal of 3α-hydroxytirucalla-8,24-dien-21-oic acid and 3β-fluorotirucalla-7,24-dien-21-oic acid (0.897:0.103) Acta Crystallographica Section E 67(4) (2011) o1015-o1016
Space group: P 31 2 1
Cell volume: 4020.9
Cell parameters: 11.2868; 11.2868; 36.446; 90; 90; 120;

COD ID: 2233257

Formula: - C22 H27 N5 O6 Zn2 -
Comments: Rodriguez, Mark A.; Sava, Dorina F.; Nenoff, Tina M. catena-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^O:O')-zinc-μ-(2-phenylbenzimidazolido-κ^2^N:N'] Acta Crystallographica Section E 68(1) (2012) m59-m60
Space group: P 31 2 1
Cell volume: 3723.4
Cell parameters: 9.0521; 9.0521; 52.47; 90; 90; 120;

COD ID: 2240741

Formula: - C26 H30 O2 -
Comments: Thiruvalluvar, A.; Chithiravel, R.; Muthusubramanian, S.; Butcher, R. J. 1,3,5-Tri-p-tolylpentane-1,5-diol Acta Crystallographica Section E 70(2) (2014) o122-o123
Space group: P 31 2 1
Cell volume: 3751.9
Cell parameters: 14.6205; 14.6205; 20.2672; 90; 90; 120;

COD ID: 2242352

Formula: - Eu K O9 S2 -
Comments: Paul, Avijit Kumar Synthesis and crystal structure of a new polymorph of potassium europium(III) bis(sulfate) monohydrate, KEu(SO~4~)~2~·H~2~O Acta Crystallographica Section E 74(2) (2018) 242-245
Space group: P 31 2 1
Cell volume: 527.94
Cell parameters: 6.9065; 6.9065; 12.7802; 90; 90; 120;

COD ID: 2300365

Formula: - Ge O2 -
Comments: Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~x}Si~x~O~2~ (0 {łeq} x < 0.2) flux-grown single crystals Journal of Applied Crystallography 45(2) (2012) 272-278
Space group: P 31 2 1
Cell volume: 121.847
Cell parameters: 4.989; 4.989; 5.6527; 90; 90; 120;

COD ID: 2300367

Formula: - Ge0.96 O2 Si0.04 -
Comments: Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~x}Si~x~O~2~ (0 {łeq} x < 0.2) flux-grown single crystals Journal of Applied Crystallography 45(2) (2012) 272-278
Space group: P 31 2 1
Cell volume: 120.88
Cell parameters: 4.9805; 4.9805; 5.627; 90; 90; 120;

COD ID: 2300369

Formula: - Ge0.83 O2 Si0.17 -
Comments: Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~x}Si~x~O~2~ (0 {łeq} x < 0.2) flux-grown single crystals Journal of Applied Crystallography 45(2) (2012) 272-278
Space group: P 31 2 1
Cell volume: 119.555
Cell parameters: 4.9707; 4.9707; 5.5873; 90; 90; 120;

COD ID: 2310626
CIF file	Formula: - H6 N2 O - Comments: Liminga, R.; Olovsson, I. The Crystal Structure of Hydrazine Monohydrate Acta Crystallographica (1,1948-23,1967) 17(12) (1964) 1523-1528 Space group: P 31 2 1 Cell volume: 224.978 Cell parameters: 4.873; 4.873; 10.94; 90; 90; 120;

COD ID: 2310664
CIF file	Formula: - Al O4 P - Comments: Sharan, B.; Dutta, B.N. Atomic Coordinates of Al P O4 Acta Crystallographica (1,1948-23,1967) 17 (1964) 82-85 Space group: P 31 2 1 Cell volume: 231.513 Cell parameters: 4.941; 4.941; 10.95; 90; 90; 120;

COD ID: 2310839
CIF file	Formula: - Te - Comments: Cherin, P.; Unger, P. Two-dimensional refinement of the crystal structure of tellurium Acta Crystallographica (1,1948-23,1967) 23 (1967) 670-671 Space group: P 31 2 1 Cell volume: 102.008 Cell parameters: 4.4572; 4.4572; 5.929; 90; 90; 120;

COD ID: 2310968
CIF file	Formula: - Ba O2 Zn - Comments: Spitsbergen, U. The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2 Acta Crystallographica (1,1948-23,1967) 13 (1960) 197-198 Space group: P 31 2 1 Cell volume: 204.046 Cell parameters: 5.927; 5.927; 6.707; 90; 90; 120;

COD ID: 2310969
CIF file	Formula: - Ba Co O2 - Comments: Spitsbergen, U. The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2 Acta Crystallographica (1,1948-23,1967) 13 (1960) 197-198 Space group: P 31 2 1 Cell volume: 199.461 Cell parameters: 5.85; 5.85; 6.73; 90; 90; 120;

COD ID: 2311983

Formula: - C30 H30 N6 O8 S2 Zn2 -
Comments: Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R. First-row transition metal-pyridine (py)-sulfate [(py)xM](SO4) complexes (M = Ni, Cu and Zn): crystal field theory in action. Acta crystallographica. Section C, Structural chemistry 74(Pt 3) (2018) 263-268
Space group: P 31 2 1
Cell volume: 2513.6
Cell parameters: 10.5383; 10.5383; 26.135; 90; 90; 120;

COD ID: 4000381
CIF file	Formula: - C12 H8 N3 S4 - Comments: Chemistry of Materials (2004) Space group: P 31 2 1 Cell volume: 974 Cell parameters: 16.182; 16.182; 4.2947; 90; 90; 120;

COD ID: 4000499

Formula: - H2 La Na O9 S2 -
Comments: Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates Chemistry of Materials 17(10) (2005) 2701-2706
Space group: P 31 2 1
Cell volume: 558.55
Cell parameters: 7.0538; 7.0538; 12.9625; 90; 90; 120;

COD ID: 4000501

Formula: - H2 Na Nd O9 S2 -
Comments: Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates Chemistry of Materials 17(10) (2005) 2701-2706
Space group: P 31 2 1
Cell volume: 540.6
Cell parameters: 6.968; 6.968; 12.856; 90; 90; 120;

COD ID: 4000959

Formula: - B10 Na O27 U2 -
Comments: Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E. Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials Chemistry of Materials 22(6) (2010) 2155
Space group: P 31 2 1
Cell volume: 1503.1
Cell parameters: 6.441; 6.441; 41.836; 90; 90; 120;

COD ID: 4002286
CIF file	Formula: - Cr0.955 S2 V0.755 - Comments: Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-) 12 (2000) 2705-2714 Space group: P 31 2 1 Cell volume: 702.268 Cell parameters: 6.85625; 6.85625; 17.2504; 90; 90; 120;

COD ID: 4002977

Formula: - C6 H24 Bi2 I10 N4 O2 -
Comments: Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip; Krishna, Swathi; Nair, Vijayakumar C. Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure Chemistry of Materials 31(6) (2019) 1941
Space group: P 31 2 1
Cell volume: 2585.9
Cell parameters: 14.7769; 14.7769; 13.6748; 90; 90; 120;

COD ID: 4003219
CIF file	Formula: - C60 H48 In3 N12 O22 - Comments: Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform Chemistry of Materials 28(7) (2016) 2000 Space group: P 31 2 1 Cell volume: 28646.7 Cell parameters: 24.4186; 24.4186; 55.4757; 90; 90; 120;

COD ID: 4024605
CIF file	Formula: - C23 H28 N2 O4 - Comments: Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives Journal of Organic Chemistry 74 (2009) 4655-4665 Space group: P 31 2 1 Cell volume: 3193.6 Cell parameters: 9.5948; 9.5948; 40.057; 90; 90; 120;

COD ID: 4026238
CIF file	Formula: - C30 H28 N2 O4 S2 - Comments: Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm Synthesis and Conformation of Chiral Biheteroaryls Journal of Organic Chemistry 76 (2011) 3222-3230 Space group: P 31 2 1 Cell volume: 3979.2 Cell parameters: 10.6948; 10.6948; 40.1721; 90; 90; 120;

COD ID: 4026699

Formula: - C11 H13 N O2 -
Comments: Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity Journal of Organic Chemistry 76 (2011) 8833-8839
Space group: P 31 2 1
Cell volume: 1439.94
Cell parameters: 5.983; 5.983; 46.449; 90; 90; 120;

COD ID: 4027950
CIF file	Formula: - C44 H68 F6 Fe N4 O8 S2 - Comments: Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts Journal of Organic Chemistry 78 (2013) 1421-1433 Space group: P 31 2 1 Cell volume: 3977.3 Cell parameters: 18.797; 18.797; 12.998; 90; 90; 120;

COD ID: 4036165

Formula: - C12 H21 N O3 S -
Comments: Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V. Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold. The Journal of organic chemistry 80(8) (2015) 3974-3981
Space group: P 31 2 1
Cell volume: 2084.52
Cell parameters: 9.1086; 9.1086; 29.0117; 90; 90; 120;

COD ID: 4036379

Formula: - C26 H33 N3 O2 -
Comments: O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J. Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations. The Journal of organic chemistry 80(20) (2015) 10177-10186
Space group: P 31 2 1
Cell volume: 3471.04
Cell parameters: 9.51079; 9.51079; 44.3094; 90; 90; 120;

COD ID: 4036439
CIF file	Formula: - C26 H26 N2 O8 - Comments: Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction. The Journal of organic chemistry 80(24) (2015) 12038-12046 Space group: P 31 2 1 Cell volume: 3745 Cell parameters: 9.367; 9.367; 49.29; 90; 90; 120;

COD ID: 4063948

Formula: - C52 H48 Cl N2 P4 Ru -
Comments: Dyer, Hellen; Picot, Alexandre; Vendier, Laure; Auffrant, Audrey; Le Floch, Pascal; Sabo-Etienne, Sylviane Tridentate and Tetradentate Iminophosphorane-Based Ruthenium Complexes in Catalytic Transfer Hydrogenation of Ketones Organometallics 30(6) (2011) 1478
Space group: P 31 2 1
Cell volume: 7466.1
Cell parameters: 14.3828; 14.3828; 41.675; 90; 90; 120;

COD ID: 4064620
CIF file	Formula: - C32 H30 Cu Fe2 N2 O2 - Comments: Zhang, Xiang; Luck, Rudy L.; Fang, Shiyue Ferrosalen and Ferrosalen-Type Ligands: Structural Modulation and Applications in Asymmetric Catalysis Organometallics 30(9) (2011) 2609 Space group: P 31 2 1 Cell volume: 1984 Cell parameters: 11.314; 11.314; 17.897; 90; 90; 120;

COD ID: 4065679
CIF file	Formula: - C49 H72 Cl4 N8 Zn4 - Comments: Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes Organometallics 29(9) (2010) 2093 Space group: P 31 2 1 Cell volume: 4182 Cell parameters: 11.8438; 11.8438; 34.4247; 90; 90; 120;

COD ID: 4065680
CIF file	Formula: - C50 H72 Br4 N8 Zn4 - Comments: Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes Organometallics 29(9) (2010) 2093 Space group: P 31 2 1 Cell volume: 4277.9 Cell parameters: 11.969; 11.969; 34.481; 90; 90; 120;

COD ID: 4072092
CIF file	Formula: - C57 H61 B Hf N6 - Comments: Lee, Han; Nienkemper, Katrin; Jordan, Richard F. Synthesis and Reactivity of a Sterically Crowded Tris(pyrazolyl)borate Hafnium Benzyl Complex Organometallics 27(19) (2008) 5075 Space group: P 31 2 1 Cell volume: 7931 Cell parameters: 20.872; 20.872; 21.022; 90; 90; 120;

COD ID: 4072144

Formula: - C42 H54 F24 N4 O10 Y2 -
Comments: Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François Group 3 Metal Complexes of Salen-like Fluorous Dialkoxy−Diimino Ligands: Synthesis, Structure, and Application in Ring-Opening Polymerization ofrac-Lactide andrac-β-Butyrolactone Organometallics 27(21) (2008) 5691
Space group: P 31 2 1
Cell volume: 5809.5
Cell parameters: 24.6268; 24.6268; 11.061; 90; 90; 120;

COD ID: 4075519
CIF file	Formula: - C21 H39 O2 P2 Rh - Comments: Axtell, Alex T.; Klosin, Jerzy; Abboud, Khalil A. Evaluation of Asymmetric Hydrogenation Ligands in Asymmetric Hydroformylation Reactions. Highly Enantioselective Ligands Based on Bis-phosphacycles Organometallics 25(21) (2006) 5003 Space group: P 31 2 1 Cell volume: 3483.2 Cell parameters: 11.0103; 11.0103; 33.178; 90; 90; 120;

COD ID: 4078010

Formula: - C8 H20 Al K -
Comments: Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements Organometallics 31(8) (2012) 3119
Space group: P 31 2 1
Cell volume: 818.71
Cell parameters: 7.3108; 7.3108; 17.6876; 90; 90; 120;

COD ID: 4078683
CIF file	Formula: - C17 H15 N O6 Zn - Comments: Petrus, Rafał; Sobota, Piotr Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure, Solution Behavior, and Application in Ring-Opening Polymerization of Lactides Organometallics 31(13) (2012) 4755 Space group: P 31 2 1 Cell volume: 1193.7 Cell parameters: 8.529; 8.529; 18.948; 90; 90; 120;

COD ID: 4079090
CIF file	Formula: - C26 H58 Mn O2 Si4 - Comments: Engerer, Laura K.; Carlson, Christin N.; Hanusa, Timothy P.; Brennessel, William W.; Young, Victor G. σ- vs π-Bonding in Manganese(II) Allyl Complexes Organometallics 31(17) (2012) 6131 Space group: P 31 2 1 Cell volume: 2716.7 Cell parameters: 9.82; 9.82; 32.53; 90; 90; 120;

COD ID: 4080426

Formula: - C21 H29 Cl6 P Ru -
Comments: Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia [RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA Organometallics 32(8) (2013) 2344
Space group: P 31 2 1
Cell volume: 3694
Cell parameters: 14.752; 14.752; 19.599; 90; 90; 120;

COD ID: 4082473
CIF file	Formula: - C46 H46 F6 O8 Pd S2 - Comments: Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes Organometallics 33(3) (2014) 627 Space group: P 31 2 1 Cell volume: 3015.35 Cell parameters: 10.9606; 10.9606; 28.9827; 90; 90; 120;

COD ID: 4082617
CIF file	Formula: - C86 H118 N4 Si4 - Comments: Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele Dearomatized BIAN Alkaline-Earth Alkyl Catalysts for the Intramolecular Hydroamination of Hindered Aminoalkenes Organometallics 33(1) (2014) 206 Space group: P 31 2 1 Cell volume: 6074.9 Cell parameters: 13.7376; 13.7376; 37.1695; 90; 90; 120;

COD ID: 4082981
CIF file	Formula: - C16 H16 Br2 Cu N4 - Comments: Lake, Benjamin R. M.; Willans, Charlotte E. Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether Organometallics 33(8) (2014) 2027 Space group: P 31 2 1 Cell volume: 2631.7 Cell parameters: 11.8735; 11.8735; 21.5549; 90; 90; 120;

COD ID: 4085151

Formula: - C34 H60 N2 Si2 V -
Comments: Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal Organometallics 34(1) (2015) 146
Space group: P 31 2 1
Cell volume: 5095.2
Cell parameters: 11.1429; 11.1429; 47.384; 90; 90; 120;

COD ID: 4085155

Formula: - C34 H60 Cr N2 Si2 -
Comments: Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal Organometallics 34(1) (2015) 146
Space group: P 31 2 1
Cell volume: 5096.9
Cell parameters: 11.1701; 11.1701; 47.1697; 90; 90; 120;

COD ID: 4101632
CIF file	Formula: - C62 H135 Mn0.5 Mo9 N5.5 O30 - Comments: Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates. Journal of the American Chemical Society 132(1) (2010) 14-15 Space group: P 31 2 1 Cell volume: 14052 Cell parameters: 18.174; 18.174; 49.125; 90; 90; 120;

COD ID: 4102779

Formula: - C106 H102 Cl4 Cu2 O4 P4 -
Comments: Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates Journal of the American Chemical Society 132 (2010) 10592-10608
Space group: P 31 2 1
Cell volume: 7902.8
Cell parameters: 18.9573; 18.9573; 25.392; 90; 90; 120;

COD ID: 4103049

Formula: - C57.5 H62 N2 O2 Zn2 -
Comments: Sefer Ay; R. E. Ziegert; H. Zhang; Martin Nieger; Kari Rissanen; K. Fink; A. Kubas; Ruth M. Gschwind; Stefan Bräse NMR-Spectroscopic and Solid-State Investigations of Cometal-Free Asymmetric Conjugate Addition: A Dinuclear Paracyclophaneimine Zinc Methyl Complex Journal of the American Chemical Society 132 (2010) 12899-12905
Space group: P 31 2 1
Cell volume: 8029.8
Cell parameters: 13.2807; 13.2807; 52.5695; 90; 90; 120;

COD ID: 4103891
CIF file	Formula: - C38 H48 F12 Fe4 P2 Si2 - Comments: Masaaki Okazaki; Masato Takano; Fumiyuki Ozawa Redox-Responsive Recombination of Carbon-Carbon Bonds on Flexible Tetrairon Cores Journal of the American Chemical Society 131 (2009) 1684-1685 Space group: P 31 2 1 Cell volume: 3279 Cell parameters: 11.366; 11.366; 29.309; 90; 90; 120;

COD ID: 4103963
CIF file	Formula: - C49 H67 Br N6 O9 - Comments: Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides Journal of the American Chemical Society 131 (2009) 2917-2924 Space group: P 31 2 1 Cell volume: 9611 Cell parameters: 18.5023; 18.5023; 32.418; 90; 90; 120;

COD ID: 4104213

Formula: - C44 H50 Al N4 O3 -
Comments: Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers Journal of the American Chemical Society 131 (2009) 5393-5395
Space group: P 31 2 1
Cell volume: 7077.7
Cell parameters: 19.0721; 19.0721; 22.468; 90; 90; 120;

COD ID: 4104214

Formula: - C43 H53 Al N4 O3 -
Comments: Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers Journal of the American Chemical Society 131 (2009) 5393-5395
Space group: P 31 2 1
Cell volume: 7147.7
Cell parameters: 19.1799; 19.1799; 22.436; 90; 90; 120;

COD ID: 4104216

Formula: - C83 H92 Al2 Cl2 N8 O4 -
Comments: Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers Journal of the American Chemical Society 131 (2009) 5393-5395
Space group: P 31 2 1
Cell volume: 6980.5
Cell parameters: 18.9541; 18.9541; 22.4362; 90; 90; 120;

COD ID: 4105722

Formula: - As4 Bi3 Cl13 Hg8 -
Comments: Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials Journal of the American Chemical Society 133 (2011) 3410-3418
Space group: P 31 2 1
Cell volume: 4756.6
Cell parameters: 11.3324; 11.3324; 42.768; 90; 90; 120;

COD ID: 4105739

Formula: - C19 H20 N2 O4 S -
Comments: Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones Journal of the American Chemical Society 133 (2011) 3517-3527
Space group: P 31 2 1
Cell volume: 2775.9
Cell parameters: 9.3905; 9.3905; 36.349; 90; 90; 120;

COD ID: 4107324

Formula: - C79 H102 Cl15 N15 O20 Zn -
Comments: Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion Journal of the American Chemical Society 130 (2008) 792-793
Space group: P 31 2 1
Cell volume: 7899
Cell parameters: 15.6682; 15.6682; 37.154; 90; 90; 120;

COD ID: 4108890

Formula: - C24 H44 In N O10 -
Comments: Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials Journal of the American Chemical Society 130 (2008) 17246-17247
Space group: P 31 2 1
Cell volume: 2486.71
Cell parameters: 12.7624; 12.7624; 17.6291; 90; 90; 120;

COD ID: 4108892

Formula: - C25 H46 In N O11 -
Comments: Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials Journal of the American Chemical Society 130 (2008) 17246-17247
Space group: P 31 2 1
Cell volume: 2473.79
Cell parameters: 12.8708; 12.8708; 17.2433; 90; 90; 120;

COD ID: 4108893

Formula: - C22 H16 Co N2 O4 -
Comments: Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials Journal of the American Chemical Society 130 (2008) 17246-17247
Space group: P 31 2 1
Cell volume: 3016.4
Cell parameters: 10.4498; 10.4498; 31.896; 90; 90; 120;

COD ID: 4108945

Formula: - C40 H46 Cl2 N2 O3 -
Comments: Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach Journal of the American Chemical Society 130 (2008) 17938-17954
Space group: P 31 2 1
Cell volume: 2548.25
Cell parameters: 10.1296; 10.1296; 28.6766; 90; 90; 120;

COD ID: 4109304

Formula: - C24 H38 Cl2 Mo Si2 -
Comments: Holger Braunschweig; Nele Buggisch; Ulli Englert; Melanie Homberger; Thomas Kupfer; Dirk Leusser; Matthias Lutz; Krzysztof Radacki Dilithiation of Bis(benzene)molybdenum and Subsequent Isolation of a Molybdenum-Containing Paracyclophane Journal of the American Chemical Society 129 (2007) 4840-4846
Space group: P 31 2 1
Cell volume: 1935.1
Cell parameters: 7.7393; 7.7393; 37.305; 90; 90; 120;

COD ID: 4109356
CIF file	Formula: - C25 H26 O4 - Comments: Luca Bernardi; Jesús López-Cantarero; Barbara Niess; Karl Anker Jørgensen Organocatalytic Asymmetric 1,6-Additions of β-Ketoesters and Glycine Imine Journal of the American Chemical Society 129 (2007) 5772-5778 Space group: P 31 2 1 Cell volume: 3205.48 Cell parameters: 8.8625; 8.8625; 47.1249; 90; 90; 120;

COD ID: 4110253

Formula: - P2 Rb2 Se6 -
Comments: In Chung; Christos D. Malliakas; Joon I. Jang; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis Helical Polymer 1/ιnfty[P2Se62-]: Strong Second Harmonic Generation Response and Phase-Change Properties of Its K and Rb Salts Journal of the American Chemical Society 129 (2007) 14996-15006
Space group: P 31 2 1
Cell volume: 876.51
Cell parameters: 7.2982; 7.2982; 19.0019; 90; 90; 120;

COD ID: 4110254

Formula: - K2 P2 Se6 -
Comments: In Chung; Christos D. Malliakas; Joon I. Jang; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis Helical Polymer 1/ιnfty[P2Se62-]: Strong Second Harmonic Generation Response and Phase-Change Properties of Its K and Rb Salts Journal of the American Chemical Society 129 (2007) 14996-15006
Space group: P 31 2 1
Cell volume: 864.9
Cell parameters: 7.2746; 7.2746; 18.871; 90; 90; 120;

COD ID: 4112171

Formula: - C15 H18 Mn2 N16 O -
Comments: En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism Journal of the American Chemical Society 126 (2004) 1419-1429
Space group: P 31 2 1
Cell volume: 1714.1
Cell parameters: 8.0488; 8.0488; 30.552; 90; 90; 120;

COD ID: 4113688

Formula: - C15 H18 Mn2 N16 O -
Comments: En-Qing Gao; Shi-Qiang Bai; Zhe-Ming Wang; Chun-Hua Yan Two-Dimensional Homochiral Manganese(II)-Azido Frameworks Incorporating an Achiral Ligand: Partial Spontaneous Resolution and Weak Ferromagnetism Journal of the American Chemical Society 125 (2003) 4984-4985
Space group: P 31 2 1
Cell volume: 1714.1
Cell parameters: 8.0488; 8.0488; 30.552; 90; 90; 120;

COD ID: 4114128

Formula: - C346 H555 Ba2 N97 O110 Si16 -
Comments: Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes Journal of the American Chemical Society 125 (2003) 10830-10841
Space group: P 31 2 1
Cell volume: 35585.7
Cell parameters: 25.3192; 25.3192; 64.098; 90; 90; 120;

COD ID: 4115466

Formula: - C98 H80 As3 La O9 -
Comments: Tetsuhiro Nemoto; Takashi Ohshima; Kentaro Yamaguchi; Masakatsu Shibasaki Catalytic Asymmetric Epoxidation of Enones Using La-BINOL-Triphenylarsine Oxide Complex: Structural Determination of the Asymmetric Catalyst Journal of the American Chemical Society 123 (2001) 2725-2732
Space group: P 31 2 1
Cell volume: 7153.8
Cell parameters: 17.6048; 17.6048; 26.653; 90; 90; 120;

COD ID: 4115645
CIF file	Formula: - C2 H4 F2 Mo0.5 N O2 Zn0.5 - Comments: Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier Understanding the Role of Helical Chains in the Formation of Noncentrosymmetric Solids Journal of the American Chemical Society 123 (2001) 7742-7743 Space group: P 31 2 1 Cell volume: 743.11 Cell parameters: 7.225; 7.225; 16.438; 90; 90; 120;

COD ID: 4115659

Formula: - C6 H9 Fe N6 O4 Re6 Se8 -
Comments: Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance Journal of the American Chemical Society 123 (2001) 8022-8032
Space group: P 31 2 1
Cell volume: 1920.6
Cell parameters: 12.7255; 12.7255; 13.6945; 90; 90; 120;

COD ID: 4116779
CIF file	Formula: - C60 H84 Cl7 Co N6 O14 - Comments: Jean-Pierre Simonato; Jacques Pécaut; Jean-Claude Marchon Kinetic and Structural Factors Governing Chiral Recognition in Cobalt(III) Chiroporphyrin-Amino Alcohol Complexes Journal of the American Chemical Society 120 (1998) 7363-7364 Space group: P 31 2 1 Cell volume: 10418.9 Cell parameters: 20.0467; 20.0467; 29.9368; 90; 90; 120;

COD ID: 4118977
CIF file	Formula: - C32 H20 B N - Comments: Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality Journal of the American Chemical Society 134 (2012) 19600-19603 Space group: P 31 2 1 Cell volume: 1618 Cell parameters: 10.1906; 10.1906; 17.991; 90; 90; 120;

COD ID: 4124932

Formula: - C84 H132 N6 O5 P2 Si4 -
Comments: Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature. Journal of the American Chemical Society 138(9) (2016) 2965-2968
Space group: P 31 2 1
Cell volume: 6283.1
Cell parameters: 15.3555; 15.3555; 30.769; 90; 90; 120;

COD ID: 4125018

Formula: - C24 H20 F N5 O4 -
Comments: Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T. Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution. Journal of the American Chemical Society 138(14) (2016) 4818-4823
Space group: P 31 2 1
Cell volume: 3270.83
Cell parameters: 11.7388; 11.7388; 27.4082; 90; 90; 120;

COD ID: 4126284

Formula: - C21.32 H27.96 N3.66 O6 Zn2 -
Comments: Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R. Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks. Journal of the American Chemical Society (2017)
Space group: P 31 2 1
Cell volume: 2740.6
Cell parameters: 21.4759; 21.4759; 6.8613; 90; 90; 120;

COD ID: 4126287

Formula: - C21.56 H26.16 N2.52 O6 Zn2 -
Comments: Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R. Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks. Journal of the American Chemical Society (2017)
Space group: P 31 2 1
Cell volume: 2832.37
Cell parameters: 21.7573; 21.7573; 6.9089; 90; 90; 120;

COD ID: 4126400

Formula: - C20.5 H24.2 N2.6 O6 Zn2 -
Comments: Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R. A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism Journal of the American Chemical Society (2017)
Space group: P 31 2 1
Cell volume: 2709.19
Cell parameters: 21.4559; 21.4559; 6.7954; 90; 90; 120;

COD ID: 4126402

Formula: - C25.39 H32.07 N3.52 O6 Zn2 -
Comments: Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R. A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism Journal of the American Chemical Society (2017)
Space group: P 31 2 1
Cell volume: 2737
Cell parameters: 21.527; 21.527; 6.8199; 90; 90; 120;

COD ID: 4126403

Formula: - C21.91 H26.82 N3.47 O7.95 Zn2 -
Comments: Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R. A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism Journal of the American Chemical Society (2017)
Space group: P 31 2 1
Cell volume: 2702.2
Cell parameters: 21.3008; 21.3008; 6.877; 90; 90; 120;

COD ID: 4126404

Formula: - C20.44 H26.72 N3.22 O6.7 Zn2 -
Comments: Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R. A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism Journal of the American Chemical Society (2017)
Space group: P 31 2 1
Cell volume: 2717.73
Cell parameters: 21.4217; 21.4217; 6.8386; 90; 90; 120;

COD ID: 4127080

Formula: - C15.23 H6 O8.46 Zn2 -
Comments: Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Witherspoon, Velencia J.; Jawahery, Sudi; Mercado, Rocio; Milner, Phillip J.; Martell, Jeffrey D.; Smit, Berend; Blümich, Bernhard; Long, Jeffrey R.; Reimer, Jeffrey A. Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc). Journal of the American Chemical Society (2018)
Space group: P 31 2 1
Cell volume: 2754.8
Cell parameters: 21.64; 21.64; 6.7928; 90; 90; 120;

COD ID: 4127081

Formula: - C14 H6 O6 Zn2 -
Comments: Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Witherspoon, Velencia J.; Jawahery, Sudi; Mercado, Rocio; Milner, Phillip J.; Martell, Jeffrey D.; Smit, Berend; Blümich, Bernhard; Long, Jeffrey R.; Reimer, Jeffrey A. Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc). Journal of the American Chemical Society (2018)
Space group: P 31 2 1
Cell volume: 2748.5
Cell parameters: 21.657; 21.657; 6.7666; 90; 90; 120;

COD ID: 4127847

Formula: - C30.09 H36.96 N3.52 O6 Zn2 -
Comments: Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R. Water Enables Efficient CO2 Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework. Journal of the American Chemical Society 141(33) (2019) 13171-13186
Space group: P 31 2 1
Cell volume: 2733.52
Cell parameters: 21.4691; 21.4691; 6.848; 90; 90; 120;

COD ID: 4128139

Formula: - C10 H14 Fe N4 -
Comments: López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8. Journal of the American Chemical Society 141(17) (2019) 7173-7180
Space group: P 31 2 1
Cell volume: 808.7
Cell parameters: 8.4206; 8.4206; 13.1696; 90; 90; 120;

COD ID: 4128366

Formula: - C21 H26 B Br2 N O2 -
Comments: Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ? Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp2)-H Borylation of Diarylmethylamines. Journal of the American Chemical Society 141(13) (2019) 5334-5342
Space group: P 31 2 1
Cell volume: 3771.96
Cell parameters: 18.5092; 18.5092; 12.7134; 90; 90; 120;

COD ID: 4131508

Formula: - C6 H14 Cl3 N2 Rb -
Comments: Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen Precise Molecular Design of High-Tc 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI3 (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane). Journal of the American Chemical Society 139(31) (2017) 10897-10902
Space group: P 31 2 1
Cell volume: 1723.1
Cell parameters: 9.401; 9.401; 22.513; 90; 90; 120;

COD ID: 4300144
CIF file	Formula: - C23 H32 N2 S - Comments: Jinkun Huang; Hans-Jörg Schanz; E. D. Stevens; Steven P. Nolan; Kenneth B. Capps; Andreas Bauer; Carl D. Hoff Structural and Solution Calorimetric Studies of Sulfur Binding to Nucleophilic Carbenes Inorganic Chemistry 39 (2000) 1042-1045 Space group: P 31 2 1 Cell volume: 1461.2 Cell parameters: 7.0433; 7.0433; 34.011; 90; 90; 120;

COD ID: 4300657
CIF file	Formula: - C86.5 H80 Ba K N3 O P6 - Comments: Roesky, Peter W. Inorganic Chemistry (2006) Space group: P 31 2 1 Cell volume: 16117 Cell parameters: 25.164; 25.164; 29.389; 90; 90; 120;

COD ID: 4307783
CIF file	Formula: - C20 H38.5 N8 Ni2 O1.25 - Comments: Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization Inorganic Chemistry 46 (2007) 2637-2644 Space group: P 31 2 1 Cell volume: 4134 Cell parameters: 16.0165; 16.0165; 18.6084; 90; 90; 120;

COD ID: 4308146

Formula: - C20 H161 Fe6 K9 N8 O162 Si3 W30 -
Comments: Bogdan Botar; Paul Kögerler; Craig L. Hill Tetrairon and Hexairon Hydroxo/Acetato Clusters Stabilized by Multiple Polyoxometalate Scaffolds. Structures, Magnetic Properties, and Chemistry of a Dimer and a Trimer Inorganic Chemistry 46 (2007) 5398-5403
Space group: P 31 2 1
Cell volume: 11953.1
Cell parameters: 20.3314; 20.3314; 33.39; 90; 90; 120;

COD ID: 4308229

Formula: - C36 H160 Cl2 Co4 N20 O56 Pt2 S6 -
Comments: Zentaro Matsumoto; Takashi Aridomi; Asako Igashira-Kamiyama; Tatsuya Kawamoto; Takumi Konno Proton-Induced Cis-Trans Conversion of a Platinum(II) Center Coordinated by l-Cysteinatocobalt(III) Metalloligands Inorganic Chemistry 46 (2007) 2968-2970
Space group: P 31 2 1
Cell volume: 9331
Cell parameters: 27.215; 27.215; 14.548; 90; 90; 120;

COD ID: 4308279

Formula: - C28 H40 F6 N4 Ni P -
Comments: Nicoleta Muresan; Krzysztof Chlopek; Thomas Weyhermüller; Frank Neese; Karl Wieghardt Bis(α-diimine)nickel Complexes: Molecular and Electronic Structure of Three Members of the Electron-Transfer Series [Ni(L)2]z (z= 0, 1+, 2+) (L = 2-Phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A Combined Experimental and Theoretical Study Inorganic Chemistry 46 (2007) 5327-5337
Space group: P 31 2 1
Cell volume: 2241.33
Cell parameters: 9.1845; 9.1845; 30.6806; 90; 90; 120;

COD ID: 4311720

Formula: - C52 H38 Cu2 N6 O8 S2 -
Comments: Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine Inorganic Chemistry 43 (2004) 6168-6176
Space group: P 31 2 1
Cell volume: 4856.4
Cell parameters: 18.5934; 18.5934; 16.2207; 90; 90; 120;

COD ID: 4312229
CIF file	Formula: - C41 H76 N10 O Ti2 - Comments: Michael J. McNevin; John R. Hagadorn Dititanium Complexes of Preorganized Binucleating Bis(amidinates) Inorganic Chemistry 43 (2004) 8547-8554 Space group: P 31 2 1 Cell volume: 3522.2 Cell parameters: 13.2566; 13.2566; 23.143; 90; 90; 120;

COD ID: 4312503
CIF file	Formula: - C18 H30 Cu N6 O7 - Comments: Patrick Deschamps; Prasad P. Kulkarni; Bibudhendra Sarkar The Crystal Structure of a Novel Copper(II) Complex with Asymmetric Ligand Derived from l-Histidine Inorganic Chemistry 42 (2003) 7366-7368 Space group: P 31 2 1 Cell volume: 3374.6 Cell parameters: 10.9923; 10.9923; 32.2489; 90; 90; 120;

COD ID: 4315754

Formula: - C54 H66 Au Cl O4 Sb2 -
Comments: Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru Study of the Coordination Abilities of Stibine Ligands to Gold(I) Inorganic Chemistry 49 (2010) 5530-5541
Space group: P 31 2 1
Cell volume: 3825.22
Cell parameters: 15.2038; 15.2038; 19.1083; 90; 90; 120;

COD ID: 4315756

Formula: - C54 H66 Au F6 Sb3 -
Comments: Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru Study of the Coordination Abilities of Stibine Ligands to Gold(I) Inorganic Chemistry 49 (2010) 5530-5541
Space group: P 31 2 1
Cell volume: 4272
Cell parameters: 15.574; 15.574; 20.34; 90; 90; 120;

COD ID: 4316850
CIF file	Formula: - C30 H50 N2 Si - Comments: S. M. Ibrahim Al-Rafia; Paul A. Lummis; Michael J. Ferguson; Robert McDonald; Eric Rivard Low-Coordinate Germylene and Stannylene Heterocycles featuring Sterically Tunable Bis(amido)silyl Ligands Inorganic Chemistry 49 (2010) 9709-9717 Space group: P 31 2 1 Cell volume: 4273 Cell parameters: 10.2694; 10.2694; 46.786; 90; 90; 120;

COD ID: 4322014

Formula: - C20 H22 Cr F6 P -
Comments: Irene Gattinger; Martin A. Herker; Wolfgang Hiller; Frank H. Köhler Fusing Rigid Spin Probes to Paramagnetic Sandwiches. Synthesis, Crystal Structures, and NMR Spectroscopy of Bis(isodicyclopentadienyl)metal Compounds Inorganic Chemistry 38 (1999) 2359-2368
Space group: P 31 2 1
Cell volume: 1375
Cell parameters: 9.736; 9.736; 16.75; 90; 90; 120;

COD ID: 4322015

Formula: - C20 H22 F6 Fe P -
Comments: Irene Gattinger; Martin A. Herker; Wolfgang Hiller; Frank H. Köhler Fusing Rigid Spin Probes to Paramagnetic Sandwiches. Synthesis, Crystal Structures, and NMR Spectroscopy of Bis(isodicyclopentadienyl)metal Compounds Inorganic Chemistry 38 (1999) 2359-2368
Space group: P 31 2 1
Cell volume: 1352.1
Cell parameters: 9.708; 9.708; 16.566; 90; 90; 120;

COD ID: 4322534

Formula: - C24 H28 Cl2 N2 O2 Zr -
Comments: Lena Kakaliou; Scanlon; Baixin Qian; Sung W. Baek; Milton R. Smith; Douglas H. Motry Five- and Six-Coordinate Group 4 Compounds Stabilized by β-Ketiminate and Diketiminate Ligands: Syntheses and Comparisons between Solid-State and Solution Structures Inorganic Chemistry 38 (1999) 5964-5977
Space group: P 31 2 1
Cell volume: 1836.96
Cell parameters: 8.616; 8.616; 28.5731; 90; 90; 120;

COD ID: 4322635

Formula: - C4 H10 Cl8 Se2 Ti2 -
Comments: Peggy J. McKarns; T. Suren Lewkebandara; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold; Charles H. Winter Adducts of Titanium Tetrachloride with Alkylselenium Compounds: Molecular Precursors to Titanium Diselenide Films Inorganic Chemistry 37 (1998) 418-424
Space group: P 31 2 1
Cell volume: 1369
Cell parameters: 12.106; 12.106; 10.786; 90; 90; 120;

COD ID: 4324085
CIF file	Formula: - Be F2 - Comments: Ghalsasi, Pallavi; Ghalsasi, Prasanna S. Single Crystal X-Ray Structure of BeF2: α-Quartz Inorganic Chemistry 50(1) (2011) 86-89 Space group: P 31 2 1 Cell volume: 100.89 Cell parameters: 4.739; 4.739; 5.1875; 90; 90; 120;

COD ID: 4324644
CIF file	Formula: - B7 Cs3 Li4 O14 - Comments: Yun Yang; Shilie Pan; Hongyi Li; Jian Han; Zhaohui Chen; Wenwu Zhao; Zhongxiang Zhou Li4Cs3B7O14: Synthesis, Crystal Structure, and Optical Properties Inorganic Chemistry 50 (2011) 2415-2419 Space group: P 31 2 1 Cell volume: 1115.01 Cell parameters: 6.9313; 6.9313; 26.799; 90; 90; 120;

COD ID: 4324924
CIF file	Formula: - C42 H90 Cl2 N10 Ni2 O12 S2 - Comments: Huan-Yong Li; Long Jiang; Hua Xiang; Trevor A. Makal; Hong-Cai Zhou; Tong-Bu Lu Construction of Two 3D Homochiral Frameworks with 1D Chiral Pores via Chiral Recognition Inorganic Chemistry 50 (2011) 3177-3179 Space group: P 31 2 1 Cell volume: 5706.4 Cell parameters: 19.0525; 19.0525; 18.1522; 90; 90; 120;

COD ID: 4325899
CIF file	Formula: - C45 H76 Ce Cu5 N13 O32 - 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 31 2 1 Cell volume: 9768 Cell parameters: 15.251; 15.251; 48.494; 90; 90; 120;

COD ID: 4325900
CIF file	Formula: - C90 H154 Cu10 N24 O61 Pr2 - 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 31 2 1 Cell volume: 9714 Cell parameters: 15.2231; 15.2231; 48.402; 90; 90; 120;

COD ID: 4327236

Formula: - C22 H46 N11 O17 Yb -
Comments: Jeff Vipond; Mark Woods; Piyu Zhao; Gyula Tircsó; Jimin Ren; Simon G. Bott; Doug Ogrin; Garry E. Kiefer; Zoltan Kovacs; A. Dean Sherry A Bridge to Coordination Isomer Selection in Lanthanide(III) DOTA-tetraamide Complexes Inorganic Chemistry 46 (2007) 2584-2595
Space group: P 31 2 1
Cell volume: 2803.4
Cell parameters: 10.775; 10.775; 27.882; 90; 90; 120;

COD ID: 4327695
CIF file	Formula: - C18 H26 Cl3 F3 O4 Pt2 S - Comments: Hui Shan; Alan James; Paul R. Sharp Platinum(II) 1,5-COD Oxo Complexes Inorganic Chemistry 37 (1998) 5727-5732 Space group: P 31 2 1 Cell volume: 3588.3 Cell parameters: 11.8878; 11.8878; 29.3193; 90; 90; 120;

COD ID: 4327984

Formula: - C5.25 H9 Cl3 N0.75 Na0.75 O1.12 Ru0.75 S0.75 -
Comments: Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin Inorganic Chemistry 51 (2012) 954-966
Space group: P 31 2 1
Cell volume: 2933.6
Cell parameters: 13.1432; 13.1432; 19.6099; 90; 90; 120;

COD ID: 4328475
CIF file	Formula: - C39.5 H103 Cl9 Mn5.6 N12 Se13 Zn8.4 - Comments: Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters Inorganic Chemistry 51 (2012) 2747-2756 Space group: P 31 2 1 Cell volume: 15772.3 Cell parameters: 25.525; 25.525; 27.9532; 90; 90; 120;

COD ID: 4328715
CIF file	Formula: - C22 H20 F6 N12 O6 S2 Zn - Comments: Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine Inorganic Chemistry 51 (2012) 3860-3867 Space group: P 31 2 1 Cell volume: 2657.4 Cell parameters: 15.729; 15.729; 12.403; 90; 90; 120;

COD ID: 4332463

Formula: - C37 H49 B2 Mn2 N7 O10 -
Comments: Khanra, Sumit; Weyhermüller, Thomas; Bill, Eckhard; Chaudhuri, Phalguni Deliberate Synthesis for Magnetostructural Study of Linear Tetranuclear Complexes BIIIMnIIMnIIBIII, MnIIIMnIIMnIIMnIII, MnIVMnIIMnIIMnIV, FeIIIMnIIMnIIFeIII, and CrIIIMnIIMnIICrIII. Influence of Terminal Ions on the Exchange Coupling Inorganic Chemistry 45(15) (2006) 5911-5923
Space group: P 31 2 1
Cell volume: 3050.4
Cell parameters: 11.2698; 11.2698; 27.7328; 90; 90; 120;

COD ID: 4332752
CIF file	Formula: - B Co H2 O6 P - Comments: Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co) Inorganic Chemistry 45(19) (2006) 7578-7580 Space group: P 31 2 1 Cell volume: 613.24 Cell parameters: 7.4554; 7.4554; 12.7397; 90; 90; 120;

COD ID: 4333175

Formula: - C64 H58 N O9 Yb -
Comments: Van Deun, Rik; Fias, Pascal; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen Visible-Light-Sensitized Near-Infrared Luminescence from Rare-Earth Complexes of the 9-Hydroxyphenalen-1-one Ligand Inorganic Chemistry 45(26) (2006) 10416-10418
Space group: P 31 2 1
Cell volume: 3807.6
Cell parameters: 12.091; 12.091; 30.0744; 90; 90; 120;

COD ID: 4333256

Formula: - C22 H18 Cl4 N10 O Zn2 -
Comments: Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation Inorganic Chemistry 46(14) (2007) 5691-5699
Space group: P 31 2 1
Cell volume: 2026.05
Cell parameters: 9.6165; 9.6165; 25.2979; 90; 90; 120;

COD ID: 4333258

Formula: - C11 H9 Br2 N5 O0.25 Zn -
Comments: Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation Inorganic Chemistry 46(14) (2007) 5691-5699
Space group: P 31 2 1
Cell volume: 2109.75
Cell parameters: 9.7276; 9.7276; 25.7448; 90; 90; 120;

COD ID: 4334982
CIF file	Formula: - C8 H18 Co2 N2 O8 P3 - Comments: Li-Ming Li; Kai Cheng; Fei Wang; Jian Zhang Ionothermal Synthesis of Chiral Metal Phosphite Open Frameworks with In Situ Generated Organic Templates Inorganic Chemistry 52 (2013) 5654-5656 Space group: P 31 2 1 Cell volume: 1322.64 Cell parameters: 9.8556; 9.8556; 15.7233; 90; 90; 120;

COD ID: 4334983
CIF file	Formula: - C8 H18 N2 O9 P3 Zn2 - Comments: Li-Ming Li; Kai Cheng; Fei Wang; Jian Zhang Ionothermal Synthesis of Chiral Metal Phosphite Open Frameworks with In Situ Generated Organic Templates Inorganic Chemistry 52 (2013) 5654-5656 Space group: P 31 2 1 Cell volume: 1312.44 Cell parameters: 9.8355; 9.8355; 15.6659; 90; 90; 120;

COD ID: 4336298

Formula: - C19 H35 Cl N3 O P Ru -
Comments: Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity Inorganic Chemistry 52 (2013) 11469-11479
Space group: P 31 2 1
Cell volume: 3962.2
Cell parameters: 14.945; 14.945; 20.484; 90; 90; 120;

COD ID: 4339380

Formula: - C9 H6 Ag F3 N4 O3 S -
Comments: Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chan, Chun-Chieh; Huang, Sheng-Ming; Chang, Bor-Chen; Lu, Yi-Long; Lee, Gene-Hsiang; Peng, Shih-Ming; Wang, Ju-Chun; Lu, Kuang-Lieh Toward quartz and cristobalite: spontaneous resolution, structures, and characterization of chiral silica-mimetic silver(I)-organic materials. Inorganic chemistry 46(24) (2007) 10044-10046
Space group: P 31 2 1
Cell volume: 987.635
Cell parameters: 10.8161; 10.8161; 9.7482; 90; 90; 120;

COD ID: 4340113

Formula: - H0 Na Np O9 S2 -
Comments: Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials. Inorganic chemistry 53(14) (2014) 7455-7466
Space group: P 31 2 1
Cell volume: 550.12
Cell parameters: 7.0147; 7.0147; 12.9094; 90; 90; 120;

COD ID: 4340115

Formula: - K Np O9 S2 -
Comments: Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials. Inorganic chemistry 53(14) (2014) 7455-7466
Space group: P 31 2 1
Cell volume: 600.3
Cell parameters: 7.1963; 7.1963; 13.386; 90; 90; 120;

COD ID: 4340166
CIF file	Formula: - C26 H16 Cu N2 O9 - Comments: Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin One dense and two open chiral metal-organic frameworks: crystal structures and physical properties. Inorganic chemistry 45(7) (2006) 2972-2978 Space group: P 31 2 1 Cell volume: 1668.9 Cell parameters: 10.963; 10.963; 16.034; 90; 90; 120;

COD ID: 4345450

Formula: - B4 Ba2 H0 O9 -
Comments: Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet. Inorganic chemistry 56(3) (2017) 1340-1348
Space group: P 31 2 1
Cell volume: 553.31
Cell parameters: 6.8245; 6.8245; 13.7181; 90; 90; 120;

COD ID: 4346755

Formula: - C84 H70 Cl5 Cu3 N8 P6 -
Comments: Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S. Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application. Inorganic chemistry 54(22) (2015) 10985-10992
Space group: P 31 2 1
Cell volume: 6154.77
Cell parameters: 17.5311; 17.5311; 23.124; 90; 90; 120;

COD ID: 4348608
CIF file	Formula: - C52 H34 N12 O8 Zn3 - Comments: Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen Ligand Symmetry Modulation for Designing Mixed-Ligand Metal-Organic Frameworks: Gas Sorption and Luminescence Sensing Properties. Inorganic chemistry 55(17) (2016) 8892-8897 Space group: P 31 2 1 Cell volume: 7859.9 Cell parameters: 21.027; 21.027; 20.5274; 90; 90; 120;

COD ID: 4349524
CIF file	Formula: - C25 H25 Cu N3 O8 - Comments: Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Zhu, Zhonghua; Wang, Yao-Yu A chiral metal‒organic framework with polar channels: unique interweaving six-fold helices and high CO2/CH4 separation Inorganic Chemistry Frontiers 3(10) (2016) 1326 Space group: P 31 2 1 Cell volume: 4755.6 Cell parameters: 22.4258; 22.4258; 10.919; 90; 90; 120;

COD ID: 4350628

Formula: - C12 H11 N3 S2 Se2 -
Comments: Brusso, Jaclyn L.; Derakhshan, Shahab; Itkis, Mikhail E.; Kleinke, Holger; Haddon, Robert C.; Oakley, Richard T.; Reed, Robert W.; Richardson, John F.; Robertson, Craig M.; Thompson, Laurence K. Isostructural bisdithiazolyl and bisthiaselenazolyl radicals: trends in bandwidth and conductivity. Inorganic chemistry 45(26) (2006) 10958-10966
Space group: P 31 2 1
Cell volume: 997.39
Cell parameters: 15.6723; 15.6723; 4.6889; 90; 90; 120;

COD ID: 4500245
CIF file	Formula: - C21 H38 Fe N10 Ni O2 - Comments: Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties Crystal Growth & Design 11(1) (2011) 302 Space group: P 31 2 1 Cell volume: 2120.7 Cell parameters: 10.2422; 10.2422; 23.343; 90; 90; 120;

COD ID: 4500681
CIF file	Formula: - C52 H70 N O9 - Comments: Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives Crystal Growth & Design 11(7) (2011) 2684 Space group: P 31 2 1 Cell volume: 3988.3 Cell parameters: 12.6602; 12.6602; 28.733; 90; 90; 120;

COD ID: 4501221

Formula: - C11 H7 Cd Cl F2 N2 O2 -
Comments: Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand Crystal Growth & Design 11(12) (2011) 5171
Space group: P 31 2 1
Cell volume: 1824.16
Cell parameters: 13.0654; 13.0654; 12.3392; 90; 90; 120;

COD ID: 4502594

Formula: - C32 H19 N5 O4 Pb -
Comments: Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes Crystal Growth & Design 10(5) (2010) 2174
Space group: P 31 2 1
Cell volume: 4088.7
Cell parameters: 15.0313; 15.0313; 20.896; 90; 90; 120;

COD ID: 4503088