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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
7243329	CIF	C24 H8 Br2 F8 N2	P -1	7.6092; 12.2473; 12.89 111.115; 100.664; 95.114	1085.22	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243330	CIF	C20 H6 F8 I2 N2	P 1 21/c 1	8.2738; 6.9896; 34.5606 90; 93.006; 90	1995.9	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243331	CIF	C16 H8 Br2 F4 N2	P -1	6.8925; 7.6625; 8.623 108.019; 97.023; 109.558	394.92	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243332	CIF	C44 H16 Br4 F16 N4	P 1 21/c 1	7.6382; 15.066; 35.9783 90; 90.815; 90	4139.9	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243333	CIF	C18 H8 F8 I2 N2	P n a 21	12.6612; 12.5742; 12.2189 90; 90; 90	1945.3	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243334	CIF	C13 H10 F4 I2 N2	P -1	7.7759; 9.1295; 11.648 97.062; 95.417; 110.587	759.74	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243335	CIF	C24 H12 F8 I2 N2	P -1	7.9933; 10.05; 15.0745 80.124; 78.66; 83.953	1166.52	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243336	CIF	C12 H14 N2 O6 S2	P 1 21/c 1	30.1122; 11.7047; 8.0292 90; 96.307; 90	2812.8	Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed Physico-chemical study of new supramolecular-architectured hybrid organic–inorganic sulfates incorporating diammoniumdiphenylsulfone cations RSC Advances, 2021, 11, 26368-26378
7243337	CIF	C12 H14 N2 O6 S2	P 1 21 1	10.6218; 9.6697; 14.1442 90; 106.322; 90	1394.2	Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed Physico-chemical study of new supramolecular-architectured hybrid organic–inorganic sulfates incorporating diammoniumdiphenylsulfone cations RSC Advances, 2021, 11, 26368-26378
7243338	CIF	C14 H18 Co N2 O9	P 1 21/c 1	18.8828; 11.3176; 8.0387 90; 94.0405; 90	1713.66	Hsieh, Yi-Ting; Huang, Ssu-Chia; Lu, Shih-I.; Wang, Hsiao-Hsun; Chang, Tsai-Wen; Wang, Chih-Chieh; Lee, Gene-Hsiang; Chuang, Yu-Chun Electrochemical characterization of and theoretical insight into a series of 2D MOFs, [M(bipy)(C4O4)(H2O)2]·3H2O (M = Mn (1), Fe (2), Co (3) and Zn (4)), for chemical sensing applications RSC Advances, 2021, 11, 26516-26522
7243339	CIF	C25.5 H17 B Cl N2 O2	P 1 21/n 1	11.3434; 14.0488; 13.7721 90; 107.982; 90	2087.53	Hoshi, Keita; Itaya, Masami; Tahara, Koki; Matsumoto, Airi; Tabata, Atsuhi; Nagamune, Hideaki; Yoshida, Yasushi; Hase, Eiji; Minamikawa, Takeo; Yasui, Takeshi; Katayama, Tetsuro; Furube, Akihiro; Minagawa, Keiji; Imada, Yasushi; Yagishita, Fumitoshi Two-photon excitable boron complex based on tridentate imidazo[1,5-a]pyridine ligand for heavy-atom-free mitochondria-targeted photodynamic therapy RSC Advances, 2021, 11, 26403-26407
7243340	CIF	C21 H22.5 Cd2 N2 O12.75	P -1	10.3439; 11.4569; 11.9709 76.621; 64.402; 85.987	1243.97	Wen, Gui-Lin; Wu, Wei-Ping; Wang, Feng-Wu; Liu, Dao-Fu; Wang, Xiao-Ling; Rong, Jie-Wei; Wang, Yao-Yu An excellent thermostable dual-functionalized 3D fsx-type Cd(ii) MOF for the highly selective detection of Fe3+ ions and ten nitroaromatic explosives CrystEngComm, 2021, 23, 6171-6179
7243341	CIF	B4 Cu Mn4 Ni7 O20	P b a m	9.19375; 12.33041; 3.016669 90; 90; 90	341.978	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7243342	CIF	B4 Cu Mn4 Ni7 O20	P b a m	9.1828; 12.2766; 3.0091 90; 90; 90	339.227	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7243343	CIF	B2 Cu Mn2 Ni3 O10	P b a m	9.1735; 12.2939; 3.0018 90; 90; 90	338.537	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7243344	CIF	C46 H47 Cl3 N4 O10	P 1 21/c 1	14.3406; 17.5842; 19.2583 90; 105.478; 90	4680.2	Sharma, Pragati R.; Pandey, Shubham; Malik, Apoorva; Choudhary, Ganpat; Soni, Vineet K.; Sharma, Rakesh K. Calix[4]amido crown functionalized visible sensors for cyanide and iodide anions RSC Advances, 2021, 11, 26644-26654
7243345	CIF	C15 H8 F2 O2	P 1 21/n 1	3.7462; 9.557; 29.904 90; 90.357; 90	1070.6	Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J. Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid CrystEngComm, 2021, 23, 5931-5943
7243346	CIF	C15 H8.07 Cl1.93 O2	C 1 2/c 1	18.665; 3.8338; 33.213 90; 95.3374; 90	2366.3	Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J. Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid CrystEngComm, 2021, 23, 5931-5943
7243347	CIF	H32.2 Mo0.95 N3.05 Na2 O38 V9.05	P -1	8.6373; 10.47; 11.2282 69.078; 87.216; 66.729	866.21	Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions CrystEngComm, 2021, 23, 6533-6540
7243348	CIF	H35.48 Li2 Mo0.13 N3.87 O38 V9.87	P -1	8.5037; 10.2366; 11.0539 68.641; 87.059; 67.707	824.94	Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions CrystEngComm, 2021, 23, 6533-6540
7243349	CIF	C22 H27 O2 P	P -1	10.8049; 13.8758; 14.4304 62.546; 81.232; 88.055	1895.79	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki–Miyaura cross-coupling reactions RSC Advances, 2021, 11, 26883-26891
7243350	CIF	C H O P	P -1	8.0873; 9.4963; 13.1468 92.553; 105.035; 95.537	968.01	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions RSC Advances, 2021, 11, 26883-26891
7243351	CIF	C40 H46 P2	P 1 2/n 1	14.554; 7.222; 31.176 90; 97.878; 90	3246	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions RSC Advances, 2021, 11, 26883-26891
7243352	CIF	C24 H30 N O3 P	C 1 2/c 1	23.219; 8.4649; 24.795 90; 110.975; 90	4550.4	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions RSC Advances, 2021, 11, 26883-26891
7243353	CIF	C31 H28 Cl N5 O	P -1	8.695; 11.849; 13.515 71.182; 88.994; 80.25	1298	Dhir, Abhimanew; Rajkumar, Madhu; Desiraju, Gautam R. Cocrystal hydrate of Bandrowski's base and clotrimazole: a prospective ingredient for hair dye formulations CrystEngComm, 2021, 23, 5421-5424
7243354	CIF	C78 H38 N20	P -1	7.7083; 17.6112; 23.3347 96.381; 96.351; 94.418	3115.98	Ando, Rempei; Jin, Mingoo; Ito, Hajime Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane CrystEngComm, 2021, 23, 5564-5568
7243355	CIF	C39 H19 N10	P -1	7.7403; 17.6776; 23.7797 96.408; 96.97; 94.633	3194.85	Ando, Rempei; Jin, Mingoo; Ito, Hajime Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane CrystEngComm, 2021, 23, 5564-5568
7243356	CIF	Hg K2 Se4 Sn	I 4/m c m	8.0531; 8.0531; 6.9501 90; 90; 90	450.73	Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13 CrystEngComm, 2021, 23, 6079-6085
7243357	CIF	Cu8 Na6 Se13 Sn3	F m -3 c	18.4754; 18.4754; 18.4754 90; 90; 90	6306.4	Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13 CrystEngComm, 2021, 23, 6079-6085
7243358	CIF	C13 H14 N2 O3 S	P b c a	11.774; 12.4266; 17.269 90; 90; 90	2526.6	Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety CrystEngComm, 2021
7243359	CIF	C15 H16 N2 O4 S	P b c a	12.7104; 10.0355; 23.7593 90; 90; 90	3030.6	Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety CrystEngComm, 2021
7243360	CIF	C13 H14 N2 O3 S	P b c a	6.0734; 15.4472; 27.066 90; 90; 90	2539.3	Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety CrystEngComm, 2021
7243361	CIF	C15 H16 N2 O4 S	P b c a	15.6551; 11.7852; 16.3034 90; 90; 90	3008	Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety CrystEngComm, 2021
7243362	CIF	C2 H6 B12 K Li Na8 O30	R -3 :H	9.606; 9.606; 23.5219 90; 90; 120	1879.7	Qiu, Qi-Ming; Yang, Guo-Yu Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer CrystEngComm, 2021, 23, 6518-6525
7243363	CIF	B12 Cs5 H8 Li O25	P 1 c 1	9.3037; 10.863; 13.007 90; 96.316; 90	1306.6	Qiu, Qi-Ming; Yang, Guo-Yu Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer CrystEngComm, 2021, 23, 6518-6525
7243364	CIF	B24 Cs10 H16 Li2 O50	P 1 21/c 1	18.5529; 10.8877; 13.0326 90; 96.274; 90	2616.8	Qiu, Qi-Ming; Yang, Guo-Yu Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer CrystEngComm, 2021, 23, 6518-6525
7243365	CIF	C30 H28 N4 O6 Zn2	I 1 2/a 1	23.5031; 14.9393; 33.0899 90; 106.97; 90	11112.6	Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics, 2021
7243366	CIF	C27 H28 Cl N3.5 O8.5 Zn	C 1 2/c 1	27.9433; 13.2179; 31.7637 90; 107.063; 90	11215.6	Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics, 2021
7243367	CIF	C43 H53 N5 Ni2 O10 S	P -1	12.2879; 13.4691; 15.8572 67.268; 89.258; 63.953	2135.5	Roy, Sourav; Sutradhar, Dipankar; Drew, Michael G. B.; Chattopadhyay, Shouvik Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond CrystEngComm, 2021, 23, 6724-6735
7243368	CIF	C21 H15 Eu N6 O8	P -1	9.9901; 10.1477; 11.9438 64.998; 76.806; 82.831	1067.84	Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites CrystEngComm, 2021, 23, 6591-6598
7243369	CIF	C15 H10 N4 O7 Tb	P -1	8.2132; 9.955; 11.4034 101.681; 102.242; 107.25	834.27	Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites CrystEngComm, 2021, 23, 6591-6598
7243370	CIF	C9 H10 B F2 N O3	P 1 21/c 1	6.5253; 11.9; 13.029 90; 100.248; 90	995.6	Wang, Huayi; Schrage, Briana; Takematsu, Kana; Ziegler, Christopher Photophysical properties of a boron analogue of coumarin Physical Chemistry Chemical Physics, 2021
7243371	CIF	C12 H8 Br Cl N2 O	P 1 21/c 1	4.4398; 19.0129; 13.8958 90; 92.18; 90	1172.14	Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides CrystEngComm, 2021, 23, 5815-5825
7243372	CIF	C12 H8 Br Cl N2 O	P c a 21	25.1344; 3.8736; 11.9831 90; 90; 90	1166.68	Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides CrystEngComm, 2021, 23, 5815-5825
7243373	CIF	C10 H12 N4 O7	P b c a	19.1729; 5.8157; 22.9536 90; 90; 90	2559.41	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243374	CIF	C10 H12 N4 O7	P b c a	19.157; 5.791; 22.956 90; 90; 90	2546.7	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243375	CIF	C4 H9 N2 O3	P 1 21/n 1	3.8179; 13.2171; 12.408 90; 94.614; 90	624.1	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243376	CIF	C4 H9 N2 O3	P 1 21/n 1	3.8179; 13.2171; 12.408 90; 94.614; 90	624.1	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243377	CIF	C10 H12 N4 O7	C 1 2/c 1	28.3783; 6.0988; 29.7998 90; 92.511; 90	5152.6	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243378	CIF	C20 H24 N8 O14	C 1 2/c 1	28.3783; 6.0988; 29.7998 90; 92.511; 90	5152.6	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243379	CIF	C5 H6 N2 Ni O6	P -1	6.8169; 7.3756; 8.5055 105.538; 90.512; 111.867	379.54	Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes CrystEngComm, 2021, 23, 6253-6266
7243380	CIF	C10 H8 N4 Ni O5	P 21 21 21	7.7733; 9.819; 14.7763 90; 90; 90	1127.82	Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes CrystEngComm, 2021, 23, 6253-6266
7243381	CIF	C28 H42 N4 O4 Pt	P n a 21	20.7074; 4.9052; 28.1381 90; 90; 90	2858.1	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex CrystEngComm, 2021, 23, 6359-6364
7243382	CIF	C28 H43 N4 O4 Pt	P n a 21	20.3217; 4.7007; 27.4573 90; 90; 90	2622.89	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex CrystEngComm, 2021, 23, 6359-6364
7243383	CIF	C28 H42 N4 O4 Pt	P n a 21	20.088; 4.6778; 27.3616 90; 90; 90	2571.1	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex CrystEngComm, 2021, 23, 6359-6364
7243384	CIF	C28 H42 N4 O4 Pt	P n a 21	20.602; 4.8431; 27.9031 90; 90; 90	2784.1	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex CrystEngComm, 2021, 23, 6359-6364
7243385	CIF	C84 H58 Cd2 N14 O10	P 1 21/n 1	18.0232; 18.0621; 24.6633 90; 90.917; 90	8027.8	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium CrystEngComm, 2021, 23, 5516-5521
7243386	CIF	C82 H58 Cd2 N14 O10	P 1 21/n 1	18.151; 18.053; 24.485 90; 90.522; 90	8023	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium CrystEngComm, 2021, 23, 5516-5521
7243387	CIF	C27 H25 N3 O6 Zn	P 1 21/n 1	14.0509; 10.1555; 17.9303 90; 103.03; 90	2492.7	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243388	CIF	C46 H44 N4 O7 Zn	C 1 2/c 1	31.098; 5.719; 23.853 90; 106.322; 90	4071.3	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243389	CIF	C43 H45 N7 O8 Zn	C 1 2/c 1	33.183; 8.9246; 15.409 90; 115.059; 90	4133.8	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243390	CIF	C40 H52 N4 O10 Zn	P 1 21/c 1	16.763; 15.8859; 16.337 90; 108.155; 90	4133.9	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243391	CIF	C48 H53 N5 O10 Zn	P -1	11.8153; 12.2801; 17.4928 108.449; 96.437; 102.812	2301.7	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243392	CIF	C74 H74 N8 O15 Zn2	P c a 21	16.8072; 16.4259; 24.7605 90; 90; 90	6835.7	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243393	CIF	B12 Cu5.994 Ni0.006 O24	I -4 2 d	11.4978; 11.4978; 5.62608 90; 90; 90	743.764	Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill Metastable growth and infrared spectra of CuB2O4:Ni single crystals CrystEngComm, 2021, 23, 6761-6768
7243394	CIF	B24 Cu11.88 Ni0.12 O48	I -4 2 d	11.49731; 11.49731; 5.62593 90; 90; 90	743.681	Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill Metastable growth and infrared spectra of CuB2O4:Ni single crystals CrystEngComm, 2021, 23, 6761-6768
7243395	CIF	C43 H80 Cr K2 N6 O17	P 1	10.9523; 11.63; 12.6749 63.886; 66.66; 86.853	1316.98	Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W) Physical Chemistry Chemical Physics, 2021
7243396	CIF	C41 H72 K2 Mo N4 O17	P 1	10.884; 11.6242; 12.7269 64.679; 68.734; 88.596	1339.97	Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W) Physical Chemistry Chemical Physics, 2021
7243397	CIF	C22 H18 N2	C 1 c 1	10.7445; 19.4078; 8.7809 90; 112.949; 90	1686.13	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243398	CIF	C19 H20 N2	P b c a	16.5878; 9.2549; 20.0075 90; 90; 90	3071.52	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243399	CIF	C17 H12 N2 S2	P 1 21/c 1	11.1404; 14.6012; 9.2447 90; 104.497; 90	1455.89	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243400	CIF	C23 H19 Br N2 O2	P 1 21/c 1	9.2089; 19.8306; 10.4519 90; 101.492; 90	1870.44	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243401	CIF	C38 H28 N4 O2	P n a 21	8.9585; 11.3947; 28.7859 90; 90; 90	2938.4	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243402	CIF	C47 H41 Cl3 N4 O4	P 1 21/c 1	10.237; 18.3683; 22.354 90; 95.807; 90	4181.8	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243403	CIF	C16 H8 N4 O2	P -1	6.312; 7.4057; 8.1661 108.309; 109.791; 92.81	335.79	Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel Series of charge transfer complexes obtained as crystals in a confined environment CrystEngComm, 2021
7243404	CIF	C24 H18 N4 O6	P -1	7.0977; 7.7054; 10.1834 79.516; 85.59; 70.03	514.64	Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel Series of charge transfer complexes obtained as crystals in a confined environment CrystEngComm, 2021
7243405	CIF	C26 H22 N4 O8	C 1 2/c 1	18.781; 7.6668; 17.9141 90; 112.728; 90	2379.2	Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel Series of charge transfer complexes obtained as crystals in a confined environment CrystEngComm, 2021
7243406	CIF	C23 H14 N2 O6 S Zn	P 1 21/n 1	10.146; 13.915; 14.641 90; 96.29; 90	2054.6	Li, Zhao-Hao; Xue, Li-Ping; Liu, Si-Rui; Wang, Si-Jin Construction of a viologen-derived 2D material with photochromism, photoswitchable luminescence and inkless and erasable prints via sunlight irradiation CrystEngComm, 2021, 23, 6315-6321
7243407	CIF	C19 H14 N2 O6	P 21 21 21	8.125; 13.7648; 15.2241 90; 90; 90	1702.6	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243408	CIF	C19 H18 N2 O2	P 1 21/c 1	11.0804; 18.793; 7.5692 90; 98.945; 90	1557	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243409	CIF	C84 H58 Cu2 N4 O10.5	P -1	12.9151; 14.7249; 17.8978 76.037; 76.919; 82.899	3208.8	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243410	CIF	C41 H28 N2 O5 Zn	P 1 21/n 1	11.41009; 16.18167; 16.91043 90; 92.4308; 90	3119.44	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243411	CIF	C41 H30 N2 O4	P -1	7.639; 14.165; 14.697 95.51; 104.51; 96.46	1517	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243412	CIF	C41 H28 N2 O4 Zn	P 1 21/n 1	11.3049; 17.2598; 15.7727 90; 92.748; 90	3074	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243413	CIF	C40 H28 N2 O4	C 1 2/c 1	14.023; 15.366; 14.628 90; 109.68; 90	2967.9	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243414	CIF	C14 H17 N5 O2 S	P 1 21/c 1	16.2034; 9.9224; 10.1872 90; 102.899; 90	1596.53	Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N. Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones RSC Advances, 2021, 11, 28395-28400
7243415	CIF	C13 H15 N5 O S	P b c a	9.7481; 9.6628; 30.3545 90; 90; 90	2859.2	Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N. Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones RSC Advances, 2021, 11, 28395-28400
7243416	CIF	C80 H294 Cl10 N16 O179 Y14	I 41 2 2	30.983; 30.983; 31.523 90; 90; 90	30260	Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives CrystEngComm, 2021, 23, 6923-6929
7243417	CIF	C80 H318 Cl10 Dy14 N16 O191	I 41 2 2	31.0292; 31.0292; 31.3898 90; 90; 90	30222.5	Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives CrystEngComm, 2021, 23, 6923-6929
7243418	CIF	C80 H294 Cl10 N16 O179 Y14	I 41 2 2	31.008; 31.008; 30.85 90; 90; 90	29662	Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives CrystEngComm, 2021, 23, 6923-6929
7243419	CIF	C80 H318 Cl10 Dy14 N16 O191	I 41 2 2	31.0353; 31.0353; 31.3981 90; 90; 90	30242.3	Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives CrystEngComm, 2021, 23, 6923-6929
7243420	CIF	C25 H32 N2 O7	I 1 2 1	20.206; 6.6378; 20.461 90; 116.74; 90	2450.8	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243421	CIF	C27 H32 N2 O6	P 21 21 21	6.943; 17.066; 20.466 90; 90; 90	2425	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243422	CIF	C23 H29 N2 O7	C 1 2 1	19.945; 6.698; 18.303 90; 94.98; 90	2436	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243423	CIF	C21 H25 N2 O7	C 1 2 1	21.387; 6.419; 18.467 90; 121.541; 90	2160.7	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243424	CIF	C23 H28 N2 O6	P 21 21 21	6.6594; 11.845; 26.345 90; 90; 90	2078.11	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243425	CIF	C27 H30 N2 O6	P 21 21 21	8.978; 9.713; 28.903 90; 90; 90	2520	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243426	CIF	C48 H62 N4 O15	P 1	6.5187; 10.9299; 17.6311 99.531; 97.444; 106.711	1165.47	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243427	CIF	C24 H28 F6 N2 O7	P 21 21 21	6.722; 19.671; 20.29 90; 90; 90	2682.9	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243428	CIF	C28 H34 N2 O6	P 21 21 21	6.5291; 19.368; 20.431 90; 90; 90	2583.6	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243429	CIF	C58 H66 N6 O15 S2	P 21 21 21	15.5984; 15.7897; 23.5416 90; 90; 90	5798.2	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243430	CIF	C38 H50 N2 O9	C 1 2 1	30.0476; 6.6972; 21.922 90; 127.752; 90	3488	Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs CrystEngComm, 2021, 23, 6843-6847
7243431	CIF	C20 H29 Cl N2 O4	P 1	6.7848; 10.6171; 15.4805 98.689; 97.586; 108.323	1027.12	Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs CrystEngComm, 2021, 23, 6843-6847
7243432	CIF	C25 H23 N3 O3 Se	P -1	7.573; 11.91; 15.396 69.978; 81.094; 78.524	1272.9	Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry, 2021
7243433	CIF	C25 H23 N3 O3 Se	P -1	9.364; 10.472; 12.433 72.327; 75.582; 80.655	1120.1	Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry, 2021
7243434	CIF	C16 H15 N3 O3	P -1	7.89; 9.75; 9.847 96.739; 103.567; 91.493	730.2	Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry, 2021
7243435	CIF	C72 H56 Co4 N12 O20	P 1 21/n 1	11.0719; 13.1489; 11.7587 90; 98.256; 90	1694.13	Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties CrystEngComm, 2021, 23, 6376-6387
7243436	CIF	C22 H14 Co N3 O5	P -1	9.4348; 9.9705; 11.5494 68.346; 83.463; 76.625	981.9	Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties CrystEngComm, 2021, 23, 6376-6387
7243437	CIF	C50 H34 Co3 N8 O17	P -1	10.0359; 14.6155; 19.1561 76.537; 89.864; 89.195	2732.3	Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties CrystEngComm, 2021, 23, 6376-6387
7243438	CIF	C54 H42 Cd3 O24	P -1	7.908; 9.0612; 18.642 95.133; 100.853; 107.104	1238.88	Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation CrystEngComm, 2021, 23, 6400-6408
7243439	CIF	C78 H52 Cd2 N4 O22	P -1	6.1936; 15.2015; 18.859 71.913; 89.28; 89.947	1687.7	Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation CrystEngComm, 2021, 23, 6400-6408
7243440	CIF	C22 H14 Fe N2 S	P 1 21/c 1	7.4489; 7.4086; 32.085 90; 93.571; 90	1767.2	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243441	CIF	C14 H9 Fe I N2 S	P 1 21/c 1	12.0436; 14.8358; 7.5107 90; 91.413; 90	1341.58	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243442	CIF	C14 H9 Cl Fe N2 S	P -1	7.4925; 7.5319; 11.801 102.546; 103.317; 92.575	629.4	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243443	CIF	C22 H14 Fe N2 S	P 1 21/c 1	11.395; 19.7263; 7.6124 90; 92.122; 90	1710	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243444	CIF	C12 H9 Cl Fe N2 S	P 1 21/c 1	9.7781; 21.088; 11.3518 90; 99.46; 90	2308.9	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243445	CIF	C26 H18 Fe2 N2 S	P 1 21/c 1	9.8936; 8.8451; 23.085 90; 99.728; 90	1991.1	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243446	CIF	C14 H9 Br F12 O2	P 1 21/n 1	11.9324; 12.4694; 12.4948 90; 116.905; 90	1657.9	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243447	CIF	C20 H13 F12 O2 P	P 1 21 1	6.4519; 14.303; 11.4008 90; 92.203; 90	1051.31	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243448	CIF	C11 H7 Br F6 O3	C 1 c 1	13.9233; 14.4415; 12.9349 90; 100.826; 90	2554.6	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243449	CIF	C26 H29 Br O2	P -1	7.4093; 8.2707; 18.706 101.293; 100.471; 94.032	1098.7	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243450	CIF	C78 H87 O6 P3	P -1	10.515; 15.037; 22.719 100.8; 94.78; 103.351	3403	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243451	CIF	C17 H88 Ce2.5 N2.5 O91 P4 W16	C 1 2 1	25.85; 13.375; 27.037 90; 91.89; 90	9343	Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul A phosphonate–lanthanoid polyoxometalate coordination polymer: {Ce2P2W16O60L2}n zipper chains CrystEngComm, 2021, 23, 5989-5993
7243452	CIF	C24 H28 N4 O2 S2	P -1	7.177; 7.455; 11.03 105.64; 97.57; 90.8	562.6	Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism CrystEngComm, 2021
7243453	CIF	C24 H30 N4 O2 S	P 1 21 1	6.633; 8.53; 19.929 90; 94.24; 90	1124.5	Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism CrystEngComm, 2021
7243454	CIF	C32 H18 F12 N4 O10 S	P 1 21/n 1	8.1467; 21.3962; 20.1733 90; 90.509; 90	3516.24	Broumidis, Emmanouil; Jones, Callum M. S.; Koyioni, Maria; Kourtellaris, Andreas; Lloyd, Gareth O.; Marques-Hueso, Jose; Koutentis, Panayiotis A.; Vilela, Filipe 8,8′-(Benzo[c][1,2,5]thiadiazole-4,7-diyl)bis(quinolin-4(1H)-one): a twisted photosensitizer with AIE properties RSC Advances, 2021, 11, 29102-29107
7243455	CIF	C28 H24 N2 O5	P -1	8.748; 8.7951; 15.4152 96.274; 97.889; 98.627	1151.3	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243456	CIF	C31 H26 N4 O4	P -1	7.9646; 12.144; 14.685 112.558; 90.032; 99.526	1290.4	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243457	CIF	C31 H21 N2 O4	P -1	8.8551; 9.9074; 14.9941 103.891; 95.539; 112.603	1152.44	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243458	CIF	C35 H25 N3 O4	P -1	9.065; 12.112; 13.231 110.005; 94.095; 105.378	1294.9	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243459	CIF	C34 H26 N6 O4	P -1	7.6359; 13.6124; 14.8657 103.866; 103.123; 100.924	1411.53	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243460	CIF	C33 H29 N5 O9	P -1	7.1375; 12.3754; 19.214 94.647; 98.852; 98.195	1650.6	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243461	CIF	C46 H36 Br4 Cl2 S32 Zn	I 41/a :2	9.7458; 9.7458; 74.416 90; 90; 90	7068.1	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243462	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.478; 9.9772; 74.311 91.03; 90.423; 90.136	7025.8	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243463	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.31052; 9.9603; 74.2011 91.3016; 90.4551; 90.3631	6878.9	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243464	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.38534; 9.99249; 74.2113 91.1767; 90.4551; 90.1829	6958	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243465	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.28488; 9.9294; 74.1606 91.2956; 90.4755; 90.4013	6834.9	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243466	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.3549; 9.9886; 74.2441 91.25; 90.478; 90.243	6935.6	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243467	CIF	C4 Ca3 K2 O12	P 21 21 21	7.3905; 8.8156; 16.4817 90; 90; 90	1073.81	Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D. High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4 CrystEngComm, 2021, 23, 6675-6681
7243468	CIF	C31 H23 Cl N2 O6	P -1	9.0827; 9.5303; 15.2656 81.275; 78.069; 85.015	1275.79	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243469	CIF	C29 H21 Cl N4 O7	P -1	9.1618; 10.0986; 14.4711 80.377; 78.44; 86.267	1292.58	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243470	CIF	C36 H31 Cl N2 O5	P -1	9.4734; 12.1901; 13.6109 78.39; 71.852; 89.207	1461.05	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243471	CIF	C29 H22 Cl N3 O4	P -1	8.7637; 9.2884; 15.7219 106.107; 103.639; 90.928	1190.29	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243472	CIF	C31 H24 Cl N3 O2	P -1	8.6793; 10.6795; 13.6524 95.603; 95.284; 97.549	1241.41	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243473	CIF	C33 H30 Cl N3 O5	P -1	9.0175; 9.9958; 16.7343 86.397; 75.472; 86.959	1456.18	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243474	CIF	C29 H23 Cl N2 O4	P n a 21	21.0772; 8.2738; 13.8978 90; 90; 90	2423.62	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243475	CIF	C32 H23 Cl N2 O8	P -1	11.7142; 15.503; 16.6489 69.389; 89.642; 89.69	2829.9	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243476	CIF	C31 H27 Cl N4 O7	P -1	8.8976; 12.8529; 13.9071 102.931; 98.041; 106.569	1449.97	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243477	CIF	C21 H12 Cd O7 P	P b c a	23.728; 13.165; 30.085 90; 90; 90	9398	Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties CrystEngComm, 2021, 23, 5753-5757
7243478	CIF	C23 H20 Cd O7 P	P 1 21/c 1	15.135; 22.028; 18.37 90; 101.248; 90	6007	Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties CrystEngComm, 2021, 23, 5753-5757
7243479	CIF	C30 H28 I6 N6 Pb	C 1 2/m 1	13.0069; 14.6783; 10.1587 90; 107.854; 90	1846.09	Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality RSC Advances, 2021, 11, 24816-24821
7243480	CIF	C30 H22 I6 N6 Pb3	P b c n	22.4598; 12.1864; 14.4057 90; 90; 90	3942.9	Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality RSC Advances, 2021, 11, 24816-24821
7243481	CIF	C60 H52 I18 N12 Pb5	P -1	12.8492; 12.89296; 15.7151 86.4469; 70.5166; 72.3962	2337.22	Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality RSC Advances, 2021, 11, 24816-24821
7243482	CIF	C22 H14 Cl N O4	P 1 21/c 1	20.415; 5.9806; 15.39 90; 105.234; 90	1813	Chen, Rongxiang; Liu, Bing; Li, Wenbo; Wang, Kai-Kai; Miao, Changqing; Li, Zhizhuang; Lv, Yingjie; Liu, Lantao Synthesis of N-alkoxyphthalimide derivatives via PIDA-promoted cross dehydrogenative coupling reaction RSC Advances, 2021, 11, 8051-8054
7243483	CIF	B3 Ca4 Ho O10	C 1 m 1	8.09; 16.018; 3.5317 90; 101.284; 90	448.8	Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal CrystEngComm, 2021, 23, 6574-6581
7243484	CIF	C100 H210 O93	C 1 2 1	19.133; 24.566; 15.782 90; 108.873; 90	7019	Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590
7243485	CIF	C129 H237.8 O77.88	P 1	10.396; 15.111; 25.494 83.247; 81.556; 89.475	3933.9	Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590
7243486	CIF	C62 H114.4 O33.2	P 21 21 21	15.337; 20.728; 23.104 90; 90; 90	7345	Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590
7243487	CIF	C176 H402 O177	P 4 21 2	23.745; 23.745; 23.1 90; 90; 90	13024	Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590
7243488	CIF	B7 Ba12 F4 Li O21	P 42/m b c	13.5174; 13.5174; 14.9399 90; 90; 90	2729.82	Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I. The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals CrystEngComm, 2021, 23, 6599-6609
7243489	CIF	C94 H83 N8 O18 Zn3	P -1	15.186; 15.21; 26.964 91.53; 102.04; 91.69	6085	Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework CrystEngComm, 2021, 23, 7262-7269
7243490	CIF	C130.35 H132.3 N8.95 O22.3 Zn3	P -1	21.473; 21.553; 26.886 94.896; 102.406; 89.986	12106	Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework CrystEngComm, 2021, 23, 7262-7269
7243491	CIF	C126.62 H125.75 N7.62 O20.25 Zn3	P -1	15.263; 30.497; 26.95 89.2; 82.16; 87.8	12418	Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework CrystEngComm, 2021, 23, 7262-7269
7243492	CIF	C39 H15 N6	P -1	7.3212; 9.9861; 19.292 78.231; 89.49; 77.581	1347.6	Mandal, Arkalekha; Kim, Youngmee; Kim, Sung-Jin; Park, JaeHong Unravelling the fluorescence and semiconductor properties of a new coronene:TCNB charge transfer cocrystal polymorph CrystEngComm, 2021, 23, 7132-7140
7243493	CIF	C17 H29 N O3	P 1 21 1	9.706; 24.576; 14.6471 90; 109.129; 90	3300.9	Li, Wei; Zhao, Lin; Sun, Li-Tong; Xie, Ze-Ping; Zhang, Shu-Min; Yue, Xi-Dian; Dai, Sheng-Jun Trinorlabdane diterpenoid alkaloids featuring an unprecedented skeleton with anti-inflammatory and anti-viral activities from Forsythia suspensa RSC Advances, 2021, 11, 29684-29689
7243494	CIF	C13 H15 N O2	P 1 21/n 1	6.8238; 14.8389; 10.849 90; 96.975; 90	1090.41	Su, Ziqi; Chai, Hongxin; Xu, Juan; Li, Jiarong ZnCl2-promoted domino reaction of 2-hydroxybenzonitriles with ketones for synthesis of 1,3-benzoxazin-4-ones RSC Advances, 2021, 11, 29906-29911
7243495	CIF	C7 H10 Br N5 O2	P 1 21/c 1	15.2177; 6.7634; 11.0057 90; 109.445; 90	1068.13	Bąchor, Urszula; Drozd-Szczygieł, Ewa; Bąchor, Remigiusz; Jerzykiewicz, Lucjan; Wieczorek, Robert; Mączyński, Marcin New water-soluble isoxazole-linked 1,3,4-oxadiazole derivative with delocalized positive charge RSC Advances, 2021, 11, 29668-29674
7243496	CIF	C16 H11 N O2	C 1 c 1	52.556; 3.8744; 24.2104 90; 103.315; 90	4797.3	Ikeda, Kazuho; Yoo, Dongho; Nishikawa, Ryu; Kawamoto, Tadashi; Mori, Takehiko Charge injected proton transfer in indigo derivatives Physical Chemistry Chemical Physics, 2021
7243497	CIF	C6 H7 Co0.5 N3 O4	P -1	7.385; 7.98; 8.186 65.269; 89.12; 70.156	407.6	Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties CrystEngComm, 2021, 23, 7253-7261
7243498	CIF	C24 H14 Co N12 O8	P -1	7.1998; 10.346; 12.6281 73.713; 84.815; 79.798	887.8	Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties CrystEngComm, 2021, 23, 7253-7261
7243499	CIF	C36 H22 Co3 N18 O14	P -1	10.3709; 10.4034; 13.8572 71.806; 86.047; 88.735	1416.96	Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties CrystEngComm, 2021, 23, 7253-7261
7243500	CIF	C21 H14 Cl I O	P -1	8.1585; 10.0268; 11.7398 82.2199; 69.7716; 70.2331	847.84	Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K. Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones RSC Advances, 2021, 11, 30069-30077
7243501	CIF	C20 H12 Cl I O	P -1	9.244; 9.988; 10.515 86.607; 65.448; 70.67	829.8	Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K. Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones RSC Advances, 2021, 11, 30069-30077
7243502	CIF	C9 H19 O11 Y	P 1 21 1	10.578; 5.739; 13.2053 90; 97.765; 90	794.31	Yapryntsev, A. D.; Baranchikov, A. E.; Churakov, A. V.; Kopitsa, G. P.; Silvestrova, A. A.; Golikova, M. V.; Ivanova, O. S.; Gorshkova, Yu. E.; Ivanov, V. K. The first amorphous and crystalline yttrium lactate: synthesis and structural features RSC Advances, 2021, 11, 30195-30205
7243503	CIF	C28 H21 N3 O2	C 1 c 1	10.5012; 21.4163; 10.7561 90; 116.366; 90	2167.4	Thadem, Nagender; Rajesh, Manda; Das, Saibal Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts RSC Advances, 2021, 11, 29934-29938
7243504	CIF	C25 H25 N3 O3	P n a 21	10.5361; 20.5984; 9.9179 90; 90; 90	2152.45	Thadem, Nagender; Rajesh, Manda; Das, Saibal Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts RSC Advances, 2021, 11, 29934-29938
7243505	CIF	C22 H20 N2 O3	P 1 21/c 1	14.0372; 9.4978; 14.4733 90; 113.232; 90	1773.15	Thadem, Nagender; Rajesh, Manda; Das, Saibal Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts RSC Advances, 2021, 11, 29934-29938
7243506	CIF	C22 H28 N4.5 O4.5 Zn	A e a 2	26.205; 25.903; 14.652 90; 90; 90	9946	Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions RSC Advances, 2021, 11, 30148-30155
7243507	CIF	C27 H26 P4 Pd	P -1	8.4671; 10.5451; 14.4131 88.379; 80.098; 73.608	1215.92	Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2 Green Chemistry, 2021, 23, 8089-8095
7243508	CIF	C17 H10 F6 O2	P 1 21/c 1	5.5094; 15.212; 18.2863 90; 96.429; 90	1522.92	Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2 Green Chemistry, 2021, 23, 8089-8095
7243509	CIF	C28 H36 Li N4 O8	C 1 2/c 1	16.8468; 20.5523; 8.3102 90; 90.541; 90	2877.2	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243510	CIF	C40 H40 K N8 O8	P -1	8.0221; 13.6455; 18.3816 80.507; 85.505; 85.457	1973.99	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243511	CIF	C40 H40 N8 Na O8	P -1	8.1103; 13.6858; 17.7029 78.737; 86.244; 85.714	1919.11	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243512	CIF	C28 H36 N4 Na O8	C 1 2/c 1	17.191; 20.518; 8.3079 90; 90.131; 90	2930.4	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243513	CIF	C40 H40 Li N8 O8	P -1	8.2066; 13.7299; 17.8792 72.441; 83.006; 86.623	1905.87	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243514	CIF	Cs H2 Mn O10 V3	P b c m	6.869; 9.873; 15.041 90; 90; 90	1020	Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying Towards new cesium containing manganese vanadates via a precursor method CrystEngComm, 2021, 23, 6909-6914
7243515	CIF	Cs4.34 H5.93 Mn1.83 O26.97 V8	P 4/m n c	13.569; 13.569; 8.5361 90; 90; 90	1571.65	Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying Towards new cesium containing manganese vanadates via a precursor method CrystEngComm, 2021, 23, 6909-6914
7243516	CIF	C20 H28 Ag2 B2 F8 N8 S4	P -1	10.7972; 13.496; 13.6852 62.208; 86.974; 67.181	1605.91	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243517	CIF	C10 H14 Ag Cl N4 O4 S2	P 1 21/c 1	10.0969; 18.6753; 7.9739 90; 92.264; 90	1502.41	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243518	CIF	C10 H14 Ag2 N6 O6 S2	P 1 21/n 1	12.0332; 6.5856; 22.1176 90; 102.28; 90	1712.63	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243519	CIF	C12 H14 Ag2 F6 N4 O6 S4	P -1	8.7766; 10.4029; 11.8505 86.302; 81.916; 86.791	1067.79	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243520	CIF	C30 H42 Ag3 F18 N12 P3 S6	P 1 21/n 1	16.532; 11.115; 27.2509 90; 99.442; 90	4939.6	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243521	CIF	C32 H8 F42 I2 N4 O	P 1 21/c 1	28.89; 5.5858; 28.523 90; 104.4; 90	4458.3	Saccone, Marco; Pace, Andrea; Pibiri, Ivana; Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals CrystEngComm, 2021, 23, 7324-7333
7243522	CIF	C26 H47 N O2 S	P 1 21/n 1	7.5329; 10.6912; 34.1 90; 95.908; 90	2731.7	Bisz, Elwira; Koston, Martina; Szostak, Michal N-Butylpyrrolidone (NBP) as a non-toxic substitute for NMP in iron-catalyzed C(sp2)‒C(sp3) cross-coupling of aryl chlorides Green Chemistry, 2021
7243523	CIF	C84 H54 N16 O6 S3	R -3 :H	21.023; 21.023; 30.595 90; 90; 120	11710.4	Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021
7243524	CIF	C34 H15 N9	P 1 2/a 1	10.7358; 9.7979; 13.1395 90; 93.928; 90	1378.87	Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021
7243525	CIF	C77 H76 N10 O4 S2	P -1	12.2334; 16.0882; 18.7919 107.984; 97.849; 90.566	3479.5	Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021
7243526	CIF	C20 H16 Br N3 O	P 1 21/c 1	13.4703; 14.2884; 9.0192 90; 97.198; 90	1722.24	Zhao, Mengfei; Qin, Zengxin; Zhang, Kaixin; Li, Jizhen Metal-free site-selective C‒H cyanoalkylation of 8-aminoquinoline and aniline-derived amides with azobisisobutyronitrile RSC Advances, 2021, 11, 30719-30724
7243527	CIF	C17 H33 F6 Mo N4 O3 P	P b c a	17.1434; 14.9459; 18.1606 90; 90; 90	4653.2	Gessner, Niklas; Bäck, Anna Karina; Knorr, Johannes; Nagel, Christoph; Marquetand, Philipp; Schatzschneider, Ulrich; González, Leticia; Nuernberger, Patrick Ultrafast Photochemistry of a Molybdenum Carbonyl-Nitrosyl Complex with a Triazacyclononane Coligand Physical Chemistry Chemical Physics, 2021
7243528	CIF	C18 H18 Cl F2 N3 O4	P 1 21/n 1	10.248; 9.092; 20.307 90; 92.102; 90	1890.8	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243529	CIF	C19 H18 Cu F3 I N3	P 1 21/n 1	12.6541; 19.843; 18.004 90; 109.426; 90	4263.4	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243530	CIF	C18 H17 Cu F2 I N3	P b c a	10.4747; 16.568; 23.0336 90; 90; 90	3997.36	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243531	CIF	C18 H17 F2 N3	P -1	5.4869; 10.1446; 14.6445 101.552; 93.625; 93.431	794.84	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243532	CIF	C21 H31 Br N3 O6.5 S	C 1 2/c 1	18.9632; 18.2169; 14.9312 90; 110.55; 90	4829.8	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243533	CIF	C29 H16 Ce O8	P -1	12.1829; 14.9798; 15.5382 67.68; 69.005; 67.206	2343.1	Wu, Xiaoling; Li, Zi-Jian; Zhou, He; Li, Lin; Qian, Zhenghua; Qian, Nan; Chu, Xinxin; Liu, Wei A microporous Ce-based MOF with the octahedron cage for highly selective adsorption towards xenon over krypton RSC Advances, 2021, 11, 30918-30924
7243534	CIF	C20 H12 I2 N2	P 1 21/n 1	8.6398; 19.4072; 10.7039 90; 101.237; 90	1760.36	Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding CrystEngComm, 2021, 23, 7108-7117
7243535	CIF	C20 H12 Cl2 N2	P 1 21/n 1	13.368; 7.5374; 16.175 90; 104.64; 90	1576.9	Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding CrystEngComm, 2021, 23, 7108-7117
7243536	CIF	C20 H12 F2 N2	P 1 21/n 1	12.7621; 7.6916; 15.439 90; 101.23; 90	1486.5	Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding CrystEngComm, 2021, 23, 7108-7117
7243537	CIF	C22 H18 N2	P 1 21/n 1	12.313; 7.563; 17.916 90; 102.333; 90	1629.9	Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding CrystEngComm, 2021, 23, 7108-7117
7243538	CIF	C15 H13 Cd N2 O5 S	P -1	6.2638; 10.7726; 12.388 111.317; 96.567; 105.524	729.15	Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media CrystEngComm, 2021, 23, 7397-7405
7243539	CIF	C15 H10 Cd N O4	P -1	7.5153; 9.8544; 10.3104 62.368; 76.205; 67.714	624.13	Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media CrystEngComm, 2021, 23, 7397-7405
7243540	CIF	C39 H37 N7 O13 Zn2	P 1 21/n 1	9.4083; 13.686; 18.288 90; 99.846; 90	2320.1	Wu, Qi; Yang, Xiao-Li; Ding, Ze-Yu; Meng, Xiao-Yun; Zhang, Wen-Yan; Yan, Yang-Tian; Yang, Guo-Ping; Wang, Yao-Yu A multi-functional two-dimensional Zn(ii)-organic framework for selective carbon dioxide adsorption, sensing of nitrobenzene and Cr2O72− CrystEngComm, 2021, 23, 7643-7649
7243541	CIF	C24 H16 Co N2 O4	P 1 21/c 1	10.3931; 16.027; 14.996 90; 98.243; 90	2472.1	Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A. Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases CrystEngComm, 2021, 23, 7162-7170
7243542	CIF	C24 H16 Co N2 O4	P 1 21/c 1	10.4014; 16.133; 14.6878 90; 98.482; 90	2437.7	Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A. Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases CrystEngComm, 2021, 23, 7162-7170
7243543	CIF	C24 H16 Co I1.6 N2 O4	P 1 21/c 1	10.114; 16.501; 14.7 90; 97.159; 90	2434.2	Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A. Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases CrystEngComm, 2021, 23, 7162-7170
7243544	CIF	C24 H16.5 N2 O4.25 Zn	P 1 21/c 1	10.2197; 16.1263; 14.8826 90; 98.059; 90	2428.5	Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A. Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases CrystEngComm, 2021, 23, 7162-7170
7243545	CIF	C21 H16 Cl N3 O3 S	P -1	8.3414; 10.8615; 11.6407 69.332; 87.543; 76.539	958.77	Kumar, Navaneet; Bhadoria, Deepak; Kumar, Atul Visible-light-promoted three-component cycloaddition reaction: synthesis of 4-functionalized 1,5-disubstituted 1,2,3-triazoles Green Chemistry, 2021, 23, 7987-7995
7243546	CIF	C22 H14 Co N2 O4	R -3 :H	27.0844; 27.0844; 22.219 90; 90; 120	14115.4	Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands CrystEngComm, 2021, 23, 7590-7601
7243547	CIF	C29 H19 Co N3 O5	C 1 2/c 1	25.1587; 12.6586; 16.9319 90; 102.447; 90	5265.6	Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands CrystEngComm, 2021, 23, 7590-7601
7243548	CIF	C60 H40 Co3 N6 O14	P -1	10.1206; 13.677; 15.8965 70.383; 78.221; 83.458	2026.56	Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands CrystEngComm, 2021, 23, 7590-7601
7243549	CIF	C22 H14 Co N2 O5	R -3 :H	27.0648; 27.0648; 22.965 90; 90; 120	14568	Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands CrystEngComm, 2021, 23, 7590-7601
7243550	CIF	C6 H14 Cl4 Cu2 N2	P 1 21/n 1	6.4278; 13.986; 12.7277 90; 91.79; 90	1143.65	Goreshnik, Evgeny Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers CrystEngComm, 2021, 23, 7171-7178
7243551	CIF	C6 H18 Cl7 Cu7 S3	P 63 m c	13.9585; 13.9585; 6.4715 90; 90; 120	1091.98	Goreshnik, Evgeny Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers CrystEngComm, 2021, 23, 7171-7178
7243552	CIF	C6 H14 Cl6 Cu2 N2	P 1 2/n 1	6.9394; 8.4624; 12.2504 90; 104.482; 90	696.53	Goreshnik, Evgeny Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers CrystEngComm, 2021, 23, 7171-7178
7243553	CIF	C6 H14 Cl5 Cu3 N2	P n m a	17.3198; 7.5743; 10.1087 90; 90; 90	1326.11	Goreshnik, Evgeny Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers CrystEngComm, 2021, 23, 7171-7178
7243554	CIF	C4 H2 K2 N10 O5	P 1 21/c 1	12.1233; 8.2762; 11.5289 90; 99.076; 90	1142.27	Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives CrystEngComm, 2021, 23, 7635-7642
7243555	CIF	C4 H10 N12 O5	P 1 21/c 1	12.6801; 8.2805; 11.665 90; 97.819; 90	1213.41	Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives CrystEngComm, 2021, 23, 7635-7642
7243556	CIF	C4 H4 N10 O5	P b c a	9.4839; 9.0436; 22.4984 90; 90; 90	1929.66	Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives CrystEngComm, 2021, 23, 7635-7642
7243557	CIF	C6 H14 Cl4 Cu2 N2	P 1 21/n 1	6.4278; 13.986; 12.7277 90; 91.79; 90	1143.65	Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L. In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance CrystEngComm, 2021
7243558	CIF	C6 H18 Cl7 Cu7 S3	P 63 m c	13.9585; 13.9585; 6.4715 90; 90; 120	1091.98	Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L. In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance CrystEngComm, 2021
7243559	CIF	C6 H14 Cl6 Cu2 N2	P 1 2/n 1	6.9394; 8.4624; 12.2504 90; 104.482; 90	696.53	Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L. In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance CrystEngComm, 2021
7243560	CIF	C6 H14 Cl5 Cu3 N2	P n m a	17.3198; 7.5743; 10.1087 90; 90; 90	1326.11	Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L. In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance CrystEngComm, 2021
7243561	CIF	B12 H12 Na O27 Rb5	R 3 2 :H	11.1487; 11.1487; 20.6785 90; 90; 120	2225.9	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243562	CIF	B12 H4 O22 Rb4	P 1 21/c 1	9.154; 6.6585; 18.6325 90; 117.594; 90	1006.5	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243563	CIF	B12 Ba H4 O22 Rb2	P 1 21/c 1	9.058; 6.62; 18.294 90; 117.603; 90	972.1	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243564	CIF	B5 H O9 Rb2	P c a 21	8.5942; 7.6284; 13.1321 90; 90; 90	860.94	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243565	CIF	B12 H3 Na2 O21 Rb	P a -3	12.3596; 12.3596; 12.3596 90; 90; 90	1888	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243566	CIF	C37 H32 Cl2 O	P -1	9.76; 10.85; 15.146 98.37; 96.251; 103.375	1526.8	Barton, Benita; Barnardo, Brandon; Hosten, Eric C. Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures CrystEngComm, 2021, 23, 7278-7288
7243567	CIF	C37 H32 Cl2 O	P -1	9.83; 10.658; 15.343 96.197; 96.104; 105.604	1523.7	Barton, Benita; Barnardo, Brandon; Hosten, Eric C. Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures CrystEngComm, 2021, 23, 7278-7288
7243568	CIF	C37 H32 Cl2 O	P -1	10.3172; 12.742; 13.082 67.795; 71.424; 72.877	1479.3	Barton, Benita; Barnardo, Brandon; Hosten, Eric C. Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures CrystEngComm, 2021, 23, 7278-7288
7243569	CIF	C37 H32 Cl2 O	P -1	9.8151; 10.9036; 14.5415 94.486; 97.7538; 104.653	1481.57	Barton, Benita; Barnardo, Brandon; Hosten, Eric C. Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures CrystEngComm, 2021, 23, 7278-7288
7243570	CIF	C19 H20 O6	P n a 21	21.521; 11.299; 6.774 90; 90; 90	1647.2	Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis RSC Advances, 2021, 11, 31395-31399
7243571	CIF	C115 H110 O30	P 1 21 1	7.6292; 18.955; 27.164 90; 91.56; 90	3926.8	Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis RSC Advances, 2021, 11, 31395-31399
7243572	CIF	C19 H19 N O8	P 1 21/n 1	7.9677; 8.9993; 24.879 90; 98.37; 90	1764.9	Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis RSC Advances, 2021, 11, 31395-31399
7243573	CIF	C14 H20 O2	P 21 21 21	5.0851; 13.6181; 18.784 90; 90; 90	1300.8	Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa Separation of a diastereomeric diol pair using mechanical properties of crystals CrystEngComm, 2021
7243574	CIF	C14 H20 O2	P 1 21 1	12.4314; 5.0981; 20.634 90; 106.37; 90	1254.7	Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa Separation of a diastereomeric diol pair using mechanical properties of crystals CrystEngComm, 2021
7243575	CIF	Ca10.42 Gd0.58 Sb9.69	I 4/m m m	11.9737; 11.9737; 17.3326 90; 90; 90	2485	Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials CrystEngComm, 2021, 23, 7097-7107
7243576	CIF	Ca10.63 Gd0.37 Sb9.74	I 4/m m m	11.9875; 11.9875; 17.36 90; 90; 90	2494.6	Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials CrystEngComm, 2021, 23, 7097-7107
7243577	CIF	Ca10.64 Gd0.36 Sb9.63	I 4/m m m	11.985; 11.985; 17.2845 90; 90; 90	2482.7	Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials CrystEngComm, 2021, 23, 7097-7107
7243578	CIF	C31 H38 N O7.5 S2	I 1 2 1	21.8237; 6.3425; 23.2717 90; 112.529; 90	2975.4	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243579	CIF	C31 H38 N O7.5 S2	C 1 2 1	25.2663; 6.3994; 22.1324 90; 120.785; 90	3074.33	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243580	CIF	C31 H37.25 N O7.12 S2	C 1 2 1	25.321; 6.4135; 22.097 90; 121.404; 90	3062.8	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243581	CIF	C31 H37 N O7 S2	C 1 2 1	25.208; 6.3747; 21.98 90; 121.001; 90	3027.5	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243582	CIF	C31 H37.5 N O7.25 S2	C 1 2 1	25.2658; 6.3976; 22.0858 90; 121.138; 90	3055.6	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243583	CIF	C27 H20 Co N4 O6	C 1 2/c 1	17.714; 17.989; 15.344 90; 105.098; 90	4721	Liu, Ya; Ren, Li; Cui, Guang-Hua Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media CrystEngComm, 2021, 23, 7485-7495
7243584	CIF	C28.5 H21 Co N3 O5	C 1 2/c 1	12.6009; 30.1566; 13.5693 90; 107.237; 90	4924.8	Liu, Ya; Ren, Li; Cui, Guang-Hua Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media CrystEngComm, 2021, 23, 7485-7495
7243585	CIF	C64 H32 N16 Nd	P 4/n n c :2	19.937; 19.937; 6.4202 90; 90; 90	2551.9	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243586	CIF	C64 H32 N16 Tb	C 1 2/c 1	28.086; 14.16; 13.1416 90; 115.708; 90	4709.1	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243587	CIF	C65 H34 Cl2 N16 Sm	P n m a	28.1354; 22.945; 7.8933 90; 90; 90	5095.7	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243588	CIF	C64 H32 La N16	P 4/n n c :2	19.9227; 19.9227; 6.3925 90; 90; 90	2537.27	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243589	CIF	C64 H32 Gd N16	P 21 21 21	8.8412; 10.5892; 50.762 90; 90; 90	4752.4	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243590	CIF	C65 H34 Cl2 N16 Nd	P n m a	28.0851; 22.9636; 7.8897 90; 90; 90	5088.3	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243591	CIF	C65 H34 Cl2 Gd N16	P n m a	28.356; 22.882; 8.046 90; 90; 90	5220.6	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243592	CIF	C64 H32 Dy N16	P 21 21 21	8.8171; 10.5671; 50.648 90; 90; 90	4718.9	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243593	CIF	C65 H34 Cl2 Dy N16	P n m a	28.01; 22.923; 7.8994 90; 90; 90	5072	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243594	CIF	C65 H34 Cl2 N16 Yb	P n m a	27.955; 22.921; 7.8802 90; 90; 90	5049.3	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243595	CIF	C64 H32 N16 Tb	P 21 21 21	8.8136; 10.5756; 50.713 90; 90; 90	4726.9	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243596	CIF	C64 H32 N16 Yb	P 21 21 21	8.7901; 10.5965; 50.568 90; 90; 90	4710.1	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243597	CIF	C64 H32 Dy N16	P 4/n n c :2	19.548; 19.548; 6.477 90; 90; 90	2475	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243598	CIF	C65 H34 Cl2 La N16	P n m a	28.0409; 22.944; 7.8783 90; 90; 90	5068.7	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243599	CIF	C64 H32 N16 Nd	C 1 2/c 1	28.103; 14.1751; 13.1851 90; 115.596; 90	4737	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243600	CIF	C64 H32 N16 Sm	C 1 2/c 1	28.1112; 14.2031; 13.1654 90; 115.574; 90	4741.5	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243601	CIF	C65 H34 Cl2 Er N16	P n m a	28.016; 22.942; 7.8678 90; 90; 90	5057	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243602	CIF	C64 H32 N16 Pr	C 1 2/c 1	28.106; 14.1593; 13.1975 90; 115.551; 90	4738.4	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243603	CIF	C64 H32 N16 Sm	P 21 21 21	8.8201; 10.6092; 50.7567 90; 90; 90	4749.5	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243604	CIF	C64 H32 Gd N16	C 1 2/c 1	28.125; 14.1663; 13.1416 90; 115.688; 90	4718.5	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243605	CIF	C65 H34 Cl2 N16 Tb	P n m a	28.0516; 22.9642; 7.8827 90; 90; 90	5077.9	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243606	CIF	C64 H32 N16 Nd	P 21 21 21	8.852; 10.604; 50.844 90; 90; 90	4772.6	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243607	CIF	C65 H34 Cl2 N16 Pr	P n m a	28.1128; 22.9663; 7.8883 90; 90; 90	5093.1	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243608	CIF	C13 H11 Cl2 N3 O4	P 1 21/n 1	3.8492; 25.618; 15.127 90; 96.92; 90	1480.8	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243609	CIF	C13 H12 Cl2 N2 O3	P 1 21/n 1	11.1527; 5.1499; 24.1986 90; 94.245; 90	1386.04	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243610	CIF	C11 H10 Cl2 N2 O3	P 1 21/c 1	4.9189; 12.7069; 19.7761 90; 90.777; 90	1235.97	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243611	CIF	C13 H12 Cl2 N2 O3	P 1 21/n 1	10.5164; 5.3915; 24.4188 90; 90.966; 90	1384.33	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243612	CIF	C14 H12 Cl2 N2 O4	P -1	3.9581; 10.518; 17.6996 79.048; 84.886; 85.843	719.39	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243613	CIF	C19 H17 F8 N5 O3	C 1 2 1	11.1446; 6.5924; 29.135 90; 93.968; 90	2135.4	Ning, Yongquan; Wang, Hongwei; Sivaguru, Paramasivam; Li, Shuang; Zanoni, Giuseppe; Nolan, Steven P.; Bi, Xihe Defluorinative [4 + 1] annulation of perfluoroalkyl N-mesylhydrazones with primary amines provides 5-fluoroalkyl 1,2,3-triazoles Green Chemistry, 2021, 23, 7976-7981
7243614	CIF	C30 H19 P S6 Se	P -1	8.8726; 12.5498; 25.9772 92.616; 97.874; 100.725	2807.7	Yang, Zi; Zhang, Zhikai; Xue, CeCe; Yang, Kai; Gao, Rong; Yu, Na; Ren, Yi Excited-State Engineering of Oligothiophenes via Phosphorus Chemistry towards Strong Fluorescent Materials Physical Chemistry Chemical Physics, 2021
7243615	CIF	C16 H21 N2 O6 Zn	P n m a	18.3597; 30.8839; 11.3262 90; 90; 90	6422.2	Chen, Mao-Long; Qi, Zhen-Li; Jin, Wan-Ting; Xu, Zhou; Cheng, Yun-Hui; Zhou, Zhao-Hui Cation exchange in a fluorescent zinc-based metal–organic framework for cadmium ion detection CrystEngComm, 2021, 23, 7442-7449
7243616	CIF	C7 H6 In N O8 P	P -1	6.6218; 9.3168; 9.4721 114.317; 95.498; 105.293	499.59	Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction CrystEngComm, 2021, 23, 6855-6858
7243617	CIF	C8 H9 Ga N O11 P	C 1 2/c 1	7.8667; 16.1141; 21.1102 90; 90.836; 90	2675.7	Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction CrystEngComm, 2021, 23, 6855-6858
7243618	CIF	C19 H11 F2 N	C 1 c 1	3.8635; 26.708; 12.5375 90; 90.609; 90	1293.63	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955
7243619	CIF	C23 H21 N	P b c n	11.0913; 16.1163; 9.1839 90; 90; 90	1641.6	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955
7243620	CIF	C19 H11 Cl2 N	P -1	7.1916; 8.2658; 13.5299 87.021; 75.797; 68.795	726.3	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955
7243621	CIF	C21 H17 N O2	P 1 21/c 1	12.6441; 17.5664; 15.456 90; 114.037; 90	3135.26	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955
7243622	CIF	C172 H352 N24 O117 Pt4 S4	I -4 3 d	39.9546; 39.9546; 39.9546 90; 90; 90	63782.3	Aoki, Kentaro; Otsubo, Kazuya; Kitagawa, Hiroshi A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite CrystEngComm, 2021, 23, 7691-7697
7243623	CIF	C28 H30 Eu N2 O19.5	P n n a	27.0123; 21.1322; 11.5913 90; 90; 90	6616.7	Wang, Cui-Li; Zheng, Ya-Xin; Chen, Le; Zhu, Cai-Yong; Gao, Wei; Li, Peng; Jie-Ping, Liu; Zhang, Xiu-Mei The construction of a multifunctional luminescent Eu-MOF for the sensing of Fe3+, Cr2O72− and amines in aqueous solution CrystEngComm, 2021, 23, 7581-7589
7243624	CIF	C57 H120 N15 O6 V3	P 1 21/n 1	8.24; 34.3199; 12.7556 90; 93.197; 90	3601.62	Kikukawa, Yuji; Kawabata, Hiroko; Hayashi, Yoshihito Synthesis of cyanooxovanadate and cyanosilylation of ketones RSC Advances, 2021, 11, 31688-31692
7243625	CIF	C31 H32 Cd N4 O7	P -1	10.4592; 11.9988; 12.1578 95.789; 97.053; 91.219	1505.63	Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors RSC Advances, 2021, 11, 31756-31765
7243626	CIF	C31.03 H30.55 Cd Cl0.24 N4 O5.52	P -1	9.3563; 9.873; 17.234 77.943; 75.068; 71.533	1444.9	Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors RSC Advances, 2021, 11, 31756-31765
7243627	CIF	C30 H30 Cd N4 O7	P -1	8.9887; 10.5199; 17.3822 79.35; 76.852; 67.523	1470.22	Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors RSC Advances, 2021, 11, 31756-31765
7243628	CIF	C18 H22 N O10.5	P -1	11.287; 11.583; 15.893 74.88; 86.45; 66.47	1837	Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect CrystEngComm, 2021
7243629	CIF	C16 H16 O9	P 1 21/n 1	9.4396; 11.62; 13.907 90; 91.59; 90	1524.8	Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect CrystEngComm, 2021
7243630	CIF	C16 H16 O10 S	P 1 21/c 1	8.4936; 16.17; 11.847 90; 109.38; 90	1534.9	Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect CrystEngComm, 2021
7243631	CIF	C55 H50 Br4 Cl6 N4 O4	P -1	10.6218; 11.3383; 12.3181 68.588; 88.724; 85.755	1377.31	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243632	CIF	C60 H64 Br4 N4 O6	P -1	7.803; 11.554; 15.741 72.604; 89.478; 83.484	1345	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243633	CIF	C68 H76 Br4 N4 O12	P -1	11.3807; 11.6442; 13.1925 83.978; 66.041; 86.807	1588.64	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243634	CIF	C55 H51 Br4 Cl N4 O4	P -1	6.588; 14.1875; 15.2526 64.022; 82.732; 85.997	1271.11	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243635	CIF	C56 H54 Br4 N4 O5	P -1	6.5928; 14.239; 15.231 63.995; 82.597; 85.988	1274.2	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243636	CIF	C360 H312 Cu15 I19 N24 O48 S24	P 63/m	32.1757; 32.1757; 13.5257 90; 90; 120	12126.8	Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties CrystEngComm, 2021, 23, 7179-7185
7243637	CIF	C124 H110 Cu8 I8 N10 O16 S8	P 1 21/n 1	21.5046; 16.0447; 23.0476 90; 115.557; 90	7174.2	Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties CrystEngComm, 2021, 23, 7179-7185
7243638	CIF	C15 H15 Cu Fe N2 S2	P 1 21/c 1	18.1803; 9.4604; 9.0591 90; 99.762; 90	1535.54	Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides CrystEngComm, 2021, 23, 7794-7804
7243639	CIF	C15 H15 Ag Fe N2 S2	P 1 21/c 1	18.0463; 9.80453; 9.3793 90; 100.689; 90	1630.74	Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides CrystEngComm, 2021, 23, 7794-7804
7243640	CIF	C29 H31 Cl3 Cu2 Fe2 I2 N2 S4	P -1	5.9876; 17.204; 17.2608 89.062; 84.677; 87.989	1769.13	Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides CrystEngComm, 2021, 23, 7794-7804
7243641	CIF	C8 H41 Cu2 Mo7 N7 O31.5 V	P 1 21/n 1	9.8374; 13.8773; 14.1652 90; 93.26; 90	1930.65	Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Iryna V.; Shishkina, Svitlana V.; Bieńko, Alina; Pavliuk, Mariia V.; Shylin, Sergii I. Hybrid compound based on diethylenetriaminecopper(ii) cations and scarce V-monosubstituted β-octamolybdate as water oxidation catalyst RSC Advances, 2021, 11, 32119-32125
7243642	CIF	C19 H18 N2 O3 S	P -1	7.7587; 18.0168; 19.756 104.844; 98.14; 92.385	2633.8	Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines RSC Advances, 2021, 11, 31152-31158
7243643	CIF	C20 H23 N2 O4 S	C 1 2/c 1	33.074; 7.648; 16.25 90; 111.766; 90	3817	Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines RSC Advances, 2021, 11, 31152-31158
7243644	CIF	C19 H18 N2 O3 S	P 1 21/c 1	10.929; 10.763; 15.62 90; 109.953; 90	1727	Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines RSC Advances, 2021, 11, 31152-31158
7243645	CIF	C12 H21 Cl2 Fe N2 P	P 1 21/c 1	12.3959; 23.352; 11.4368 90; 95.28; 90	3296.6	Blahut, Jan; Benda, Ladislav; Lejeune, Arthur L.; Sanders, Kevin J.; Burcher, Benjamin; Jeanneau, Erwann; Proriol, David; Catita, Leonor; Breuil, Pierre-Alain R.; Quoineaud, Anne-Agathe; Pell, Andrew J.; Pintacuda, Guido Proton-detected fast-magic-angle spinning NMR of paramagnetic inorganic solids RSC Advances, 2021, 11, 29870-29876
7243646	CIF	C25 H33 Cl2 K N6 O3 Pt	P -1	7.4967; 10.2891; 20.1177 79.821; 87.171; 74.152	1469.28	Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions RSC Advances, 2021, 11, 30046-30053
7243647	CIF	C15.25 H11.25 Cl2 K N3.75 O0.75 Pt	C 1 c 1	41.7895; 8.5044; 21.2104 90; 107.837; 90	7175.7	Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions RSC Advances, 2021, 11, 30046-30053
7243648	CIF	C18 H12 Cl2 N2 O	P 1 21/c 1	14.8126; 11.5893; 18.701 90; 91.746; 90	3208.9	Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides Green Chemistry, 2021
7243649	CIF	C18 H12 F5 N3 O	P b c a	12.8826; 9.2515; 28.4963 90; 90; 90	3396.3	Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides Green Chemistry, 2021
7243650	CIF	C18 H12 Cl2 F3 N3 O	P 1 21/c 1	11.8929; 18.0476; 8.6239 90; 110.092; 90	1738.37	Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides Green Chemistry, 2021
7243651	CIF	C21 H23 N3	P 1 21/n 1	15.4459; 7.45856; 16.2431 90; 118.081; 90	1650.99	Wang, Lin-Xuan; Qiu, Bin; An, Xiao-De; Dong, Pei-Zhen; Liu, Rui-Bin; Xiao, Jian Organocatalytic cascade aldimine condensation/[1,6]-hydride transfer/Mannich-type cyclization: sustainable access to indole-2,3-fused diazocanes Green Chemistry, 2021, 23, 8181-8186
7243652	CIF	Fe2.667 O8 W1.333	P b c n	4.57964; 5.58662; 4.9692 90; 90; 90	127.136	Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations CrystEngComm, 2021, 23, 7298-7304
7243653	CIF	C18 H19 Co N2 O9	P -1	9.8424; 9.9803; 10.836 95.012; 109.791; 107.971	930.5	Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal CrystEngComm, 2021, 23, 7471-7478
7243654	CIF	C30 H38 Co N4 O8	P -1	10.4474; 12.2491; 13.1227 77.35; 76.486; 74.932	1554.1	Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal CrystEngComm, 2021, 23, 7471-7478
7243655	CIF	C17 H18 Co N3 O6	P 1 21/c 1	10.4957; 10.1234; 16.807 90; 106.706; 90	1710.41	Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal CrystEngComm, 2021, 23, 7471-7478
7243656	CIF	C36 H52 Co1.5 N6 O17	P -1	9.1047; 11.1545; 22.7393 99.678; 93.31; 106.073	2174.2	Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal CrystEngComm, 2021, 23, 7471-7478
7243657	CIF	C124 H108 N4 Ni O8	P 42/n :2	22.271; 22.271; 12.529 90; 90; 90	6214.4	Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin CrystEngComm, 2021, 23, 7565-7569
7243658	CIF	C140.3 H117.1 N4 Ni O8	P -4	20.4751; 20.4751; 13.4593 90; 90; 90	5642.5	Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin CrystEngComm, 2021, 23, 7565-7569
7243659	CIF	C21 H23 N7 O2 S	P -1	7.3361; 11.8575; 12.8075 70.641; 78.588; 76.401	1012.86	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243660	CIF	C28 H31 N7 O6 S	P 1 21/c 1	16.2967; 8.5063; 21.3502 90; 108.21; 90	2811.4	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243661	CIF	C30 H35 N7 O7 S	P b c a	8.6083; 21.2446; 33.276 90; 90; 90	6085.5	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243662	CIF	C29 H33 N7 O6 S	C 1 2/c 1	36.464; 8.7361; 24.937 90; 132.658; 90	5842	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243663	CIF	C29 H35 N7 O8 S	P 1 21/c 1	16.4349; 8.4148; 22.4426 90; 103.464; 90	3018.4	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243664	CIF	C32 H34 N8 O6 S	P 1 21/c 1	16.0673; 8.5659; 23.125 90; 106.194; 90	3056.4	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243665	CIF	C28 H29 N7 O6 S	P -1	8.687; 10.446; 16.411 77.708; 77.031; 74.897	1382.1	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243666	CIF	C28 H37 N7 O10 S	P -1	7.499; 14.142; 15.071 77.4; 77.647; 86.005	1523.2	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243667	CIF	C28 H29 N7 O6 S	P 1 21/c 1	8.5756; 22.7659; 14.185 90; 90.794; 90	2769.09	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243668	CIF	C25 H31 N7 O3 S	P -1	11.358; 14.023; 16.34 105.473; 91.683; 97.049	2484	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243669	CIF	C22 H28 Cd N2 O5	P n m a	14.727; 23.437; 5.987 90; 90; 90	2066.5	Soltani, Sajjad; Akhbari, Kamran; White, Jonathan Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers CrystEngComm, 2021, 23, 7450-7461
7243670	CIF	C20 H18 Cd N2 O4	P -1	9.306; 10.76; 10.904 114.49; 104.24; 103.92	887.5	Soltani, Sajjad; Akhbari, Kamran; White, Jonathan Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers CrystEngComm, 2021, 23, 7450-7461
7243671	CIF	C30 H31 Cl N6 O5 S	P 1 21 1	13.247; 7.6192; 15.469 90; 92.42; 90	1559.9	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243672	CIF	C22 H28 Cd N2 O5	P n m a	14.727; 23.437; 5.987 90; 90; 90	2066.5	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243673	CIF	C20 H18 Cd N2 O4	P -1	9.306; 10.76; 10.904 114.49; 104.24; 103.92	887.5	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243674	CIF	C29 H29 Cl N6 O5 S	P 1 c 1	15.4711; 7.0655; 13.0349 90; 104.993; 90	1376.4	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243675	CIF	C31 H35 Cl N6 O6 S	P 1 21 1	14.5891; 7.5159; 15.6522 90; 113.725; 90	1571.22	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243676	CIF	C17 H13 N3 O10 U2	P -1	8.175; 11.225; 12.1741 76.648; 86.085; 70.908	1027.13	Thuéry, Pierre; Harrowfield, Jack Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands” CrystEngComm, 2021, 23, 7305-7313
7243677	CIF	C18 H17 N3 O11 Pb U	P -1	10.4295; 10.5028; 11.5621 63.375; 74.261; 80.69	1088.56	Thuéry, Pierre; Harrowfield, Jack Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands” CrystEngComm, 2021, 23, 7305-7313
7243678	CIF	C32 H26 N7 Ni O12.5 U	P 1 21/n 1	8.7682; 16.9333; 28.1757 90; 98.6612; 90	4135.67	Thuéry, Pierre; Harrowfield, Jack Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands” CrystEngComm, 2021, 23, 7305-7313
7243679	CIF	C64 H60 N14 Ni2 O29 U2	P 41	18.5799; 18.5799; 42.3462 90; 90; 90	14618.4	Thuéry, Pierre; Harrowfield, Jack Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands” CrystEngComm, 2021, 23, 7305-7313
7243680	CIF	C160 H176 Ag8 O12 Pt4 S16	C 1 2/c 1	12.125; 26.995; 21.902 90; 90.493; 90	7169	Cheng, Xinglian; Sui, Xin; Xu, Jiayu; Liu, Xu; Chen, Mingyang; Zhu, Yan On the photocatalysis evolution of heteroatom-doped Ag4M2 nanoclusters RSC Advances, 2021, 11, 32526-32532
7243681	CIF	C21 H25 N5 O2 S	P 1 21/n 1	9.2609; 24.972; 9.6398 90; 109.03; 90	2107.5	Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy CrystEngComm, 2021, 23, 6690-6702
7243682	CIF	C33 H37 N7 O4 S2	P 1 21/n 1	5.7687; 7.8235; 35.517 90; 91.67; 90	1602.3	Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy CrystEngComm, 2021, 23, 6690-6702
7243683	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8228; 13.8222; 16.4334 90; 90; 90	1776.92	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243684	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8558; 13.8616; 16.5205 90; 90; 90	1798.98	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243685	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.9139; 13.9195; 16.6734 90; 90; 90	1836.7	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243686	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.9357; 13.9514; 16.7733 90; 90; 90	1857.04	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243687	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.9192; 13.9256; 16.7036 90; 90; 90	1842.07	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243688	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.9171; 13.9272; 16.6694 90; 90; 90	1838.02	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243689	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8962; 13.9023; 16.6281 90; 90; 90	1825.36	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243690	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8377; 13.8396; 16.4718 90; 90; 90	1786.71	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243691	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8755; 13.8822; 16.5729 90; 90; 90	1811.9	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243692	CIF	C19 H19 N2 O8 Pb2	P 1 2/c 1	13.6568; 4.4427; 18.6786 90; 101.195; 90	1111.72	Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A. Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction CrystEngComm, 2021, 23, 7663-7670
7243693	CIF	C28 H24 N4 O8 Pb2	P 1 2/c 1	18.508; 4.0982; 18.984 90; 96.68; 90	1430.2	Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A. Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction CrystEngComm, 2021, 23, 7663-7670
7243694	CIF	C57 H67 Cu2 N11 O21	P 1 21/c 1	21.4117; 11.5851; 25.3771 90; 103.588; 90	6118.8	Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E. Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex CrystEngComm, 2021, 23, 7418-7424
7243695	CIF	C50 H40 Cu2 N8 O16 Pd2	C 1 c 1	19.6662; 20.9151; 18.3648 90; 117.44; 90	6703.97	Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E. Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex CrystEngComm, 2021, 23, 7418-7424
7243696	CIF	C8 H8 O2 Te0.5	I 41/a :2	15.9927; 15.9927; 12.1188 90; 90; 90	3099.58	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243697	CIF	C8 H7 F O2 Te0.5	I 41	16.7448; 16.7448; 11.7851 90; 90; 90	3304.4	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243698	CIF	C22 H28 O4 Te	P -1	9.5423; 11.037; 11.4973 115.288; 104.367; 91.682	1047.86	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243699	CIF	C22 H22 F6 O4 Te	P -1	9.6945; 11.7224; 11.8645 116.648; 106.361; 90.992	1139.96	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243700	CIF	C64 H40 F24 O16 Te4	P 1 c 1	19.5971; 10.3078; 19.7804 90; 117.086; 90	3557.5	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243701	CIF	C18 H20 O6 Te	P 1 21/c 1	9.4353; 11.8064; 16.9075 90; 101.416; 90	1846.18	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243702	CIF	C40 H32 O4 Te	C 1 2 1	28.4494; 11.2159; 20.254 90; 103.136; 90	6293.65	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243703	CIF	C23 H16 N3 O8 S4 Zn2	C 1 2/c 1	14.3455; 27.8054; 27.708 90; 90.205; 90	11052.2	Liang, Yu-Jie; Yao, Jun; Deng, Min; Liu, Yan-E.; Xu, Quan-Qing; Li, Qiu-Xia; Jing, Bi; Zhu, Ai-Xin; Huang, Bo A porous anionic zinc(ii) metal–organic framework for gas adsorption, selective uptake of dyes and sensing of Fe3+ by Tb3+ ion encapsulation CrystEngComm, 2021, 23, 7348-7357
7243704	CIF	C21 H19 N3 O S	P 21 21 21	7.2246; 11.8631; 20.815 90; 90; 90	1784	Duan, Xiu; Sun, Qi; Yuan, Xin; Qin, Long-Zhou; Zhang, Xin-Peng; Liu, Jie; Wu, Meng-Yu; Zhu, Shan-Shan; Ma, Can-Liang; Qiu, Jiang-Kai; Guo, Kai Photoinduced remote heteroaryl migration accompanied by cyanoalkylacylation in continuous flow Green Chemistry, 2021, 23, 8916-8921
7243705	CIF	C50 H108 Ce N9 O12 S2	C 1 c 1	16.1541; 18.0486; 23.7037 90; 91.155; 90	6909.62	Ying, Tingting; Tan, Yuhui; Tang, Yunzhi; Long, Xiao; Song, Ning; Li, Yukong; Sun, Zhen Multifunctional rare earth molecular ferroelectrics with a piezoelectric response: ((nBu)4N)3[Ce(NO3)4(SCN)2]((CH3CH2CH2CH2)4N = tetrabutylammonium) CrystEngComm, 2021, 23, 8104-8109
7243706	CIF	C116 H96 Cd5 N6 O30	P -1	8.9895; 11.5404; 33.0283 95.255; 96.857; 102.441	3297.64	Qiao, Yang; Li, Zeqi; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He A metal–organic framework featuring highly sensitive fluorescence sensing for Al3+ ions CrystEngComm, 2021, 23, 8087-8092
7243707	CIF	C51 H51 Cl2 Ga P2 Ru	P -1	12.004; 13.159; 14.922 86.296; 87.495; 71.75	2233.2	García Ponce, Jorge; Díaz-Ramírez, Mariana L.; Gorla, Saidulu; Navarathna, Chanaka; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Ibarra, Ilich A.; Montiel-Palma, Virginia SO2 capture enhancement in NU-1000 by the incorporation of a ruthenium gallate organometallic complex CrystEngComm, 2021, 23, 7479-7484
7243708	CIF	C39 H33 N3 O7	P -1	11.035; 11.907; 13.273 81.38; 70.064; 71.719	1554.9	Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A. Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry CrystEngComm, 2021, 23, 7380-7384
7243709	CIF	C39 H32 N2 O7	P -1	10.653; 11.153; 13.566 85.062; 74.512; 72.396	1480.5	Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A. Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry CrystEngComm, 2021, 23, 7380-7384
7243710	CIF	C38 H31 N3 O7	P -1	10.6989; 11.63; 13.421 82.162; 72.106; 72.058	1510.3	Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A. Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry CrystEngComm, 2021, 23, 7380-7384
7243711	CIF	C37 H30 N2 O7 S	P -1	10.554; 11.3682; 13.7388 84.165; 74.55; 72.852	1517.71	Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A. Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry CrystEngComm, 2021, 23, 7380-7384
7243712	CIF	C14 H20 Cl N3 O3 S	P 1 21/n 1	18.7914; 9.2921; 19.0621 90; 99.32; 90	3284.52	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243713	CIF	C28 H38 Cl2 Cu N6 O6 S2	P -1	7.8247; 13.829; 15.156 78.981; 81.309; 85.041	1588.5	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243714	CIF	C28 H38 Cl2 Cu N6 O6 S2	P -1	13.46; 15.2424; 18.1855 114.627; 93.362; 90.021	3384.5	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243715	CIF	C28 H38 Cl2 Cu N6 O6 S2	R -3 :H	23.078; 23.078; 18.3291 90; 90; 120	8454.1	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243716	CIF	C30 H42 Cl6 Cu N6 O6 S2	C 1 2/c 1	26.699; 9.8941; 15.6876 90; 104.75; 90	4007.5	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243717	CIF	C34 H58 Cl2 Cu N6 O10 S2	P -1	8.497; 8.404; 16.31 83.113; 79.445; 67.366	1055.2	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243718	CIF	C34 H58 Cl2 Cu N6 O10 S2	P -1	8.3107; 8.7469; 16.387 79.713; 87.099; 65.629	1067.3	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243719	CIF	C30 H50 Cl2 Cu N6 O10 S2	P -1	7.7518; 8.0901; 16.3683 83.113; 78.821; 71.659	953.96	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243720	CIF	C32 H54 Cl2 Cu N6 O10 S2	P -1	8.2195; 8.2439; 16.4822 85.598; 78.212; 68.273	1015.62	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243721	CIF	C28 H40 Cl2 N6 O7 S2	C 1 2/c 1	14.5166; 9.3747; 24.7064 90; 100.965; 90	3300.9	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243722	CIF	C152 H162 Ag36 F44 O30 Te	P -1	17.5326; 18.5686; 19.6507 65.24; 66.895; 69.537	5210.2	Hou, Lin-Lin; Li, Hong-Jing; Yu, Dong-Nan; Cheng, Xun; Yao, Zi-Xuan; Liu, Kuan-Guan; Yan, Xiao-Wei Mass spectrometry guided surface modification of a tellurate ion templated 36-nucleus silver alkynyl nanocluster CrystEngComm, 2021, 23, 7202-7205
7243723	CIF	C24 H8 Cl4 O2	P -1	3.8349; 8.8365; 13.2606 88.717; 89.773; 78.865	440.79	Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F. Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors CrystEngComm, 2021, 23, 8255-8259
7243724	CIF	C24 H12 O2	P 1 21/c 1	3.8029; 13.8237; 14.1694 90; 94.395; 90	742.7	Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F. Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors CrystEngComm, 2021, 23, 8255-8259
7243725	CIF	C24 H8 Br4 O2	P n a 21	31.7745; 3.8742; 15.4074 90; 90; 90	1896.66	Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F. Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors CrystEngComm, 2021, 23, 8255-8259
7243726	CIF	C45 H38 Br2 N7 O2 S0.5	P 1 21/c 1	15.8195; 4.6302; 26.812 90; 100.182; 90	1933	Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021
7243727	CIF	C43.88 H36.62 Br2 Cl0.62 N6 O2.62	P 1 21/c 1	15.782; 4.6143; 26.78 90; 100.354; 90	1918.4	Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021
7243728	CIF	C42 H36 Br2 I0.69 N6 O2	P 1 21/c 1	15.871; 4.6048; 26.839 90; 100.177; 90	1930.6	Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021
7243729	CIF	C23 H14 Cu2 O12	I 41/a m d :2	28.727; 28.727; 14.5895 90; 90; 90	12040	Yan, Yang-Tian; Wang, Chen-Yang; Zheng, Li-Na; Wu, Yun-long; Liu, Jiao; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu A new multi-functional Cu(ii)-organic framework as a platform for selective carbon dioxide chemical fixation and separation of organic dyes CrystEngComm, 2021, 23, 8315-8322
7243730	CIF	C50 H46 Cd3 N8 O17	P -1	9.965; 10.598; 12.54 94.375; 108.088; 94.539	1247.8	Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic CrystEngComm, 2021, 23, 8043-8052
7243731	CIF	C33 H23 Cd N5 O8	P -1	10.256; 12.989; 14.013 63.783; 81.4; 82.923	1652.4	Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic CrystEngComm, 2021, 23, 8043-8052
7243732	CIF	C62 H42 Cd3 N12 O14	P -1	10.0981; 11.7986; 12.4956 86.098; 76.446; 72.064	1376.95	Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic CrystEngComm, 2021, 23, 8043-8052
7243733	CIF	C54 H38 Cd3 N8 O16	P -1	10.081; 10.549; 12.362 91.1; 107.393; 99.635	1233.5	Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic CrystEngComm, 2021, 23, 8043-8052
7243734	CIF	C16 H24 N12 O8 Pb2 S2	P -1	7.0314; 10.5042; 10.5476 61.155; 87.596; 71.433	640.99	García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A. Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands CrystEngComm, 2022, 24, 368-378
7243735	CIF	C12 H14 N14 O6 Pb2 S2	P -1	7.1834; 7.7618; 10.873 89.66; 76.812; 71.301	557.61	García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A. Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands CrystEngComm, 2022, 24, 368-378
7243736	CIF	C18 H22 N12 O Pb2 S4	C 1 2/c 1	20.419; 10.2159; 12.8155 90; 99.731; 90	2634.8	García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A. Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands CrystEngComm, 2022, 24, 368-378
7243737	CIF	C17 H26 N12 O8 Pb2 S2	C 1 2/c 1	20.5481; 10.7642; 12.7256 90; 97.74; 90	2789.05	García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A. Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands CrystEngComm, 2022, 24, 368-378
7243738	CIF	C15 H13 F N2 O3	P 1 21/c 1	12.35; 13.16; 8.567 90; 93; 90	1390	Luo, Mu-Jia; Ouyang, Xuan-Hui; Zhu, Yan-Ping; Li, Yang; Li, Jin-Heng Metal-free electrochemical [3 + 2] heteroannulation of anilines with pyridines enabled by dual C–H radical aminations Green Chemistry, 2021, 23, 9024-9029
7243739	CIF	C18 H48 B Cu3 K3 N24 O66 W12	R -3 :H	35.1668; 35.1668; 20.227 90; 90; 120	21663.5	Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones Green Chemistry, 2021, 23, 8591-8603
7243740	CIF	C18 H67 Cu3 K3 N24 O76 Si W12	P -3	15.57; 15.57; 10.337 90; 90; 120	2170.2	Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones Green Chemistry, 2021, 23, 8591-8603
7243741	CIF	C42 H43 Ag3 N6 O8	P 1	9.702; 10.763; 11.435 75.894; 84.943; 69.928	1087.7	Liu, Bo; Lv, Mengying; Jiang, Wei; Gao, Baihui; Li, Yuxin; Zhou, Shi; Wang, Dandan; Liu, Chunbo; Che, Guangbo Self-photoreduced Ag0-doped Ag(i)–organic frameworks with efficient visible-light-driven photocatalytic performance CrystEngComm, 2021, 23, 7496-7501
7243742	CIF	C54 H62 Cl6 F6 Ir N6 O4 P	C 1 2/c 1	19.554; 22.055; 15.394 90; 117.07; 90	5912	Martínez-Vollbert, Emiliano; Philouze, Christian; Gautier-Luneau, Isabelle; Moreau, Yohann; Lanoë, Pierre-Henri; Loiseau, Frederique Study of a phosphorescent cationic iridium(III) complex displaying blue shift in crystals Physical Chemistry Chemical Physics, 2021
7243743	CIF	C15 H14 Fe O7	P 1 21 1	7.1067; 12.2043; 9.3734 90; 104.11; 90	788.45	Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates RSC Medicinal Chemistry, 2021
7243744	CIF	C15 H14 Fe O7	P b c n	11.3484; 7.4781; 36.737 90; 90; 90	3117.67	Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates RSC Medicinal Chemistry, 2021
7243745	CIF	C26 H28 Co2 Mo8 N8 O35	P -1	9.5767; 11.1881; 12.2524 83.416; 68.138; 73.915	1170.6	Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors CrystEngComm, 2021, 23, 7846-7854
7243746	CIF	C13 H13 Fe Mo4 N4 O17	P -1	9.589; 11.22; 12.27 83.409; 68.107; 73.943	1177	Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors CrystEngComm, 2021, 23, 7846-7854
7243747	CIF	C26 H30 Cu2 Mo8 N8 O35	P -1	9.593; 11.205; 12.283 83.427; 68.122; 73.812	1176.5	Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors CrystEngComm, 2021, 23, 7846-7854
7243748	CIF	C13 H12 Mo4 N4 O17 Zn	P -1	9.6183; 11.1742; 12.2597 83.415; 68.179; 73.86	1174.92	Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors CrystEngComm, 2021, 23, 7846-7854
7243749	CIF	C13 H13 Mo4 N4 Ni O17	P -1	9.5458; 11.1569; 12.2071 83.619; 68.162; 74.084	1160.46	Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors CrystEngComm, 2021, 23, 7846-7854
7243750	CIF	C26 H24 Cd Mo12 N8 O46 P	P -1	13.2622; 13.533; 16.2984 87.28; 74.467; 88.037	2814.5	Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors CrystEngComm, 2021, 23, 7846-7854
7243751	CIF	C26 H14 La N2.3 O10.9	P -1	9.3815; 12.1909; 14.0591 92.007; 101.5; 101.086	1541.7	Liu, Jian-Jun; Fu, Jia-Jia; Li, Gui-Jun; Liu, Teng; Xia, Shu-Biao; Cheng, Fei-Xiang A water-stable photochromic MOF with controllable iodine sorption and efficient removal of dichromate CrystEngComm, 2021, 23, 7628-7634
7243752	CIF	C40 H48 Cu N6 O8	P 1 21/c 1	5.7835; 16.051; 21.5072 90; 94.365; 90	1990.7	Dezotti, Yuri; Barrionuevo, Manoel Victor Frutuoso; Silva, Ingrid Fernandes; Ribeiro, Marcos Antônio; Añez, Rafael; Stumpf, Humberto Osório; San-Miguel, Miguel Angel; Barros, Wdeson Pereira Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure CrystEngComm, 2021, 23, 8139-8149
7243753	CIF	C56 H44 Cu F3 N4 O3 P2 S	P 1 21/n 1	15.728; 13.5055; 24.0316 90; 108.218; 90	4848.8	Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties CrystEngComm, 2021, 23, 8323-8333
7243754	CIF	C55.27 H45.07 B Cu F4 N4 O0.27 P2	P 1 21/n 1	14.5279; 19.7802; 16.4881 90; 93.0114; 90	4731.56	Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties CrystEngComm, 2021, 23, 8323-8333
7243755	CIF	C55 H44 Cl Cu N4 O4 P2	P 1 21/c 1	16.0954; 13.4388; 23.1216 90; 107.221; 90	4777.1	Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties CrystEngComm, 2021, 23, 8323-8333
7243756	CIF	C57 H52 Br Cu N4 O2 P2	P 1 21/n 1	11.9044; 19.1935; 21.5471 90; 105.907; 90	4734.71	Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties CrystEngComm, 2021, 23, 8323-8333
7243757	CIF	C56 H48 Cu I N4 O P2	P 1 21/n 1	14.3536; 20.0276; 16.8454 90; 94.109; 90	4830.07	Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties CrystEngComm, 2021, 23, 8323-8333
7243758	CIF	C8 H12 N14 O16	P 1 21/c 1	8.9053; 12.585; 17.847 90; 90.73; 90	2000	Zhang, Wenjin; Bao, Lingxiang; Fei, Teng; Lv, Penghao; Sun, Chenghui; Pang, Siping Taming CL-20 through hydrogen bond interaction with nitromethane CrystEngComm, 2021, 23, 8099-8103
7243759	CIF	C18 H15 N O3 S	P 21 21 21	8.79899; 12.17385; 15.22942 90; 90; 90	1631.34	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243760	CIF	C28 H23 N3 O3 S	P 1 21/n 1	14.8313; 16.0368; 20.2334 90; 91.974; 90	4809.6	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243761	CIF	C14 H14 Cl N O4 S	P 1 21/n 1	8.4505; 13.524; 13.0184 90; 100.599; 90	1462.42	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243762	CIF	C17 H13 Br Cl N2 O2 S	P -1	8.4205; 9.8122; 11.2928 93.998; 101.829; 108.5	856.87	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243763	CIF	C24 H23 N3 O3 S	C 1 2/c 1	31.8179; 8.1924; 17.861 90; 103.002; 90	4536.4	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243764	CIF	C23 H20 F N3 O2 S	P 1 21/c 1	10.2247; 13.3486; 15.0139 90; 98.168; 90	2028.4	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243765	CIF	C15 H17 N O2 S	P -1	9.0097; 12.3524; 12.9152 82.341; 84.612; 84.72	1413.62	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243766	CIF	C25 H24 N3 O2 S	P 1 21/c 1	12.6908; 11.0757; 15.7411 90; 91.683; 90	2211.61	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243767	CIF	C26 H27 N3 O4 S	P -1	8.3499; 11.4704; 13.571 101.723; 95.458; 110.537	1172	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243768	CIF	C13 H12 F N O2 S	P 1 21/n 1	9.175; 5.9502; 22.5 90; 95.764; 90	1222.13	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243769	CIF	C16 H12 F N O2 S	P b c a	11.5492; 7.5883; 31.0045 90; 90; 90	2717.2	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243770	CIF	C54 H42 Br4 N8 O4 S2	P -1	11.7276; 14.3853; 16.9385 99.089; 98.944; 110.799	2567.63	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243771	CIF	C12 H9 Br2 N O2 S	P n a 21	9.958; 21.7896; 6.0999 90; 90; 90	1323.56	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243772	CIF	C13 H10 F3 N O2 S	P 1 21/n 1	5.0813; 20.4639; 12.2504 90; 90.757; 90	1273.72	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243773	CIF	C24 H22 F N3 O2 S	P -1	10.0096; 12.4631; 17.7972 80.489; 73.938; 87.66	2104.19	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243774	CIF	C20 H19 Cl4 N2 O4 S	P -1	8.56656; 11.3193; 12.12655 85.376; 87.7729; 80.6487	1156.08	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243775	CIF	C23 H18 F3 N3 O2 S	P -1	8.24874; 9.01497; 29.484 82.9508; 83.6918; 76.4332	2107.72	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243776	CIF	C88 H68 F3 N11 O6 S3	P 1 21/c 1	15.703; 30.2596; 17.0294 90; 111.871; 90	7509.4	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770
7243777	CIF	C52 H94 Cl2 N8 O6	P 1 21/c 1	8.123; 20.61; 18.053 90; 99.8; 90	2978	Basak, Megha; Das, Asesh; Das, Gopal Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability CrystEngComm, 2021, 23, 7771-7780
7243778	CIF	C60 H102 Cl2 F12 N8 O2	P 1 21/c 1	21.998; 8.4985; 19.2091 90; 99.496; 90	3541.9	Basak, Megha; Das, Asesh; Das, Gopal Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability CrystEngComm, 2021, 23, 7771-7780
7243779	CIF	C28 H30 F12 N6 O2	P 1 21/c 1	12.8556; 13.8433; 8.8264 90; 99.395; 90	1549.7	Basak, Megha; Das, Asesh; Das, Gopal Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability CrystEngComm, 2021, 23, 7771-7780
7243780	CIF	C60 H102 Br2 F12 N8 O2	P 1 21/c 1	21.98; 8.6346; 19.393 90; 99.074; 90	3634.5	Basak, Megha; Das, Asesh; Das, Gopal Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability CrystEngComm, 2021, 23, 7771-7780
7243781	CIF	C52 H94 Br2 N8 O6	P 1 21/c 1	8.2545; 20.43; 18.277 90; 100.194; 90	3033.6	Basak, Megha; Das, Asesh; Das, Gopal Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability CrystEngComm, 2021, 23, 7771-7780
7243782	CIF	C21 H18 N O3 P	P 1 21/n 1	9.52643; 14.88162; 12.71774 90; 90.7242; 90	1802.83	Zhu, Yuan-Yuan; Zhang, Tao; Zhou, Linlin; Yang, Shang-Dong Concise synthesis of N-phosphorylated amides through three-component reactions Green Chemistry, 2021, 23, 9417-9421
7243783	CIF	C26 H22 N O2 P	P 1 21/c 1	15.6285; 9.3057; 14.6152 90; 95.164; 90	2116.92	Zhu, Yuan-Yuan; Zhang, Tao; Zhou, Linlin; Yang, Shang-Dong Concise synthesis of N-phosphorylated amides through three-component reactions Green Chemistry, 2021, 23, 9417-9421
7243784	CIF	C22 H18 N2	P 1 21/c 1	9.87; 20.34; 8.95 90; 108.57; 90	1703	Chen, Wei-Li; Li, Kun; Liao, Wei-Cong; Liang, Wang-Fu; Qiu, Pei-Wen; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang An iron(iii)-catalyzed dehydrogenative cross-coupling reaction of indoles with benzylamines to prepare 3-aminoindole derivatives Green Chemistry, 2021, 23, 9610-9616
7243785	CIF	C20 H14 N2	P 1 21/n 1	7.9106; 10.4113; 18.0346 90; 98.689; 90	1468.28	Chen, Wei-Li; Li, Kun; Liao, Wei-Cong; Liang, Wang-Fu; Qiu, Pei-Wen; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang An iron(iii)-catalyzed dehydrogenative cross-coupling reaction of indoles with benzylamines to prepare 3-aminoindole derivatives Green Chemistry, 2021, 23, 9610-9616
7243786	CIF	C26 H24 O S2	P 21 21 21	5.6526; 10.0371; 36.8324 90; 90; 90	2089.71	Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions RSC Advances, 2021, 11, 34071-34078
7243787	CIF	C20 H12 O S2	P 1 21/c 1	16.763; 5.691; 7.7824 90; 97.279; 90	736.44	Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions RSC Advances, 2021, 11, 34071-34078
7243788	CIF	C47 H60 Au2 B F7 N8 O5 S	P 1	9.2214; 11.7385; 13.033 72.325; 75.768; 86.988	1302.54	Kariuki, Benson M.; Platts, James A.; Newman, Paul D. A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes RSC Advances, 2021, 11, 34170-34173
7243789	CIF	C40 H48 Ag Au B2 F8 N8	P 1 21 1	12.5502; 26.5936; 13.7021 90; 114.813; 90	4151	Kariuki, Benson M.; Platts, James A.; Newman, Paul D. A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes RSC Advances, 2021, 11, 34170-34173
7243790	CIF	C38 H20 Au F3 N4 O	C 1 2/c 1	20.9037; 19.7169; 15.8376 90; 91.467; 90	6525.4	Einrem, Rune F.; Jonsson, Einar Torfi; Teat, Simon J.; Settineri, Nicholas S.; Alemayehu, Abraham B.; Ghosh, Abhik Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials RSC Advances, 2021, 11, 34086-34094
7243791	CIF	C45 H36 N4 O3 Re	P -1	9.5807; 12.6649; 29.1467 95.279; 91.627; 90.341	3520.1	Einrem, Rune F.; Jonsson, Einar Torfi; Teat, Simon J.; Settineri, Nicholas S.; Alemayehu, Abraham B.; Ghosh, Abhik Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials RSC Advances, 2021, 11, 34086-34094
7243792	CIF	C70 H105 Eu N5 O37 Si8 Tb3	P -1	13.9398; 14.0767; 14.8978 92.2809; 116.681; 113.637	2305.01	Nigoghossian, Karina; Kulakova, Alena N.; Félix, Gautier; Khrustalev, Victor N.; Shubina, Elena S.; Long, Jérôme; Guari, Yannick; Sene, Saad; Carlos, Luís D.; Bilyachenko, Alexey N.; Larionova, Joulia Temperature sensing in Tb3+/Eu3±based tetranuclear silsesquioxane cages with tunable emission RSC Advances, 2021, 11, 34735-34741
7243793	CIF	C80 H110 Eu2 N14 O36 Si8 Tb2	P -1	13.2636; 13.3247; 16.0584 67.984; 85.33; 80.109	2591.5	Nigoghossian, Karina; Kulakova, Alena N.; Félix, Gautier; Khrustalev, Victor N.; Shubina, Elena S.; Long, Jérôme; Guari, Yannick; Sene, Saad; Carlos, Luís D.; Bilyachenko, Alexey N.; Larionova, Joulia Temperature sensing in Tb3+/Eu3±based tetranuclear silsesquioxane cages with tunable emission RSC Advances, 2021, 11, 34735-34741
7243794	CIF	C42 H24 N0 O21 S3 Tb2	P -1	13.9073; 14.243; 14.994 118.151; 99.052; 103.126	2426.3	Liu, Yuqian; Zhao, Peiran; Duan, Chunying; He, Cheng A novel 3D terbium metal–organic framework as a heterogeneous Lewis acid catalyst for the cyanosilylation of aldehyde RSC Advances, 2021, 11, 34779-34787
7243795	CIF	C12 H18 N2 O5	P -1	7.5493; 9.2659; 9.8603 91.084; 104.586; 109.587	624.83	Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G. A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes RSC Advances, 2021, 11, 34181-34192
7243796	CIF	C24 H44 N4 O15 Zn	P n a 21	20.3659; 8.7855; 16.9217 90; 90; 90	3027.7	Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G. A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes RSC Advances, 2021, 11, 34181-34192
7243797	CIF	C12 H18 Cl2 Cu N2 O13	P -1	5.877; 9.125; 18.214 86.63; 80.725; 74.305	927.9	Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G. A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes RSC Advances, 2021, 11, 34181-34192
7243798	CIF	C38 H42 Cl2 Co N10 O16	P 1 21/n 1	12.8107; 14.1995; 25.5626 90; 96.566; 90	4619.5	Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes RSC Advances, 2021, 11, 34742-34753
7243799	CIF	C38 H42 Cl2 Fe N10 O16.79	P 1 21/c 1	14.3475; 25.751; 13.6655 90; 114.2; 90	4605.2	Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes RSC Advances, 2021, 11, 34742-34753
7243800	CIF	C19 H21 Cl2 Mn N5 O4	R -3 c :H	30.3293; 30.3293; 13.6082 90; 90; 120	10840.7	Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes RSC Advances, 2021, 11, 34742-34753
7243801	CIF	C38 H42 Cl2 N10 Ni O16	C 1 2/c 1	29.5243; 13.8841; 22.5685 90; 105.786; 90	8902.3	Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes RSC Advances, 2021, 11, 34742-34753
7243802	CIF	C45 H32 N4	P -1	9.945; 18.098; 18.778 91.599; 94.106; 104.334	3262	Kim, Min-Ji; Ahn, Mina; Chae, Minjung; Kim, Sanghyun; Kim, Daehoon; Wee, Kyung-Ryang meta-Terphenyl linked donor–π–acceptor dyads: intramolecular charge transfer controlled by electron acceptor group tuning RSC Advances, 2021, 11, 34945-34954
7243803	CIF	C32 H28 Bi2 N10 O14	P 1 21/n 1	11.0626; 13.5522; 11.9227 90; 94.194; 90	1782.7	Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E. Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds CrystEngComm, 2021, 23, 8183-8197
7243804	CIF	C31 H19 Bi F6 N4 O7 S2	C 1 2/c 1	36.9899; 9.7296; 18.0256 90; 90.543; 90	6487.1	Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E. Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds CrystEngComm, 2021, 23, 8183-8197
7243805	CIF	C31 H19 Bi Br F6 N3 O4 S2	P -1	10.2659; 10.8192; 14.9442 91.545; 92.281; 109.003	1566.73	Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E. Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds CrystEngComm, 2021, 23, 8183-8197
7243806	CIF	C31 H19 Eu F6 N4 O7 S2	C 1 2/c 1	37.6364; 9.6744; 18.2345 90; 95.909; 90	6604.1	Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E. Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds CrystEngComm, 2021, 23, 8183-8197
7243807	CIF	C31 H19 Bi Cl F6 N3 O4 S2	P -1	10.3216; 10.7535; 14.8647 91.665; 91.689; 109.018	1557.84	Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E. Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds CrystEngComm, 2021, 23, 8183-8197
7243808	CIF	C23 H15 Bi Br2 F3 N3 O2 S	C 1 2/c 1	30.2542; 8.7876; 18.6371 90; 96.051; 90	4927.3	Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E. Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds CrystEngComm, 2021, 23, 8183-8197
7243809	CIF	C24 H18 Eu2 N6 O10	P 1 21/n 1	7.422; 25.734; 13.2847 90; 100.008; 90	2498.7	Hassan, Sadaf ul; Farid, Muhammad Asim; Wang, Yingxia A series of lanthanide–quinoxaline-2,3(1H,4H)-dione complexes containing 1D chiral Ln2O3 (Ln = Eu, Tb, Sm, Dy) chains: luminescent properties and response to small molecules RSC Advances, 2021, 11, 33309-33318
7243810	CIF	C18 H12 F6 N2 O	P -1	8.6416; 11.0188; 18.0722 93.734; 90.935; 95.221	1709.6	Shchegolkov, Evgeny V.; Burgart, Yanina V.; Matsneva, Daria A.; Borisevich, Sophia S.; Kadyrova, Renata A.; Orshanskaya, Iana R.; Zarubaev, Vladimir V.; Saloutin, Victor I. Polyfluoroalkylated antipyrines in Pd-catalyzed transformations RSC Advances, 2021, 11, 35174-35181
7243811	CIF	C16 H40 N14 Ni2	C 1 2/m 1	13.2618; 8.7178; 13.2822 90; 109.205; 90	1450.14	Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131
7243812	CIF	C10 H20 N6 Ni S2	R 3 c :H	22.9171; 22.9171; 15.2853 90; 90; 120	6952.2	Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131
7243813	CIF	C12 H20 N10 Ni	P b c a	12.842; 14.8998; 16.5728 90; 90; 90	3171.1	Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131
7243814	CIF	C10 H20 Cu N6 S2	P 21 21 21	12.8292; 13.3387; 18.2848 90; 90; 90	3129	Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131
7243815	CIF	C8 H20 Br2 Cu N4	P 4/n m m :2	9.5813; 9.5813; 7.5171 90; 90; 90	690.08	Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131
7243816	CIF	C8 H20 Cu N10	P 1 21/n 1	8.3568; 14.4655; 11.2207 90; 92.8489; 90	1354.74	Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131
7243817	CIF	C10 H23 Br N4 Ni O2	P n m a	15.1276; 8.9116; 11.1889 90; 90; 90	1508.39	Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131
7243818	CIF	C3 H12 O12 Sc	P -1	7.8876; 8.3604; 9.668 65.082; 76.419; 73.429	549.34	Liu, Rui; Jiang, Yansong; Gong, Yiran; Fu, Yu; Shen, Jieyu; Wang, Li; Fan, Yong; Guo, Yupeng; Xu, Jianing Two scandium-based coordination polymers: rapid ultrasound-assisted synthesis, crystal transformation, and catalytic properties CrystEngComm, 2021, 23, 7813-7821
7243819	CIF	C52 H102 K4 Mo12 N2 O64 Si	P 1 21/n 1	13.9162; 25.5541; 14.1871 90; 106.461; 90	4838.4	Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties CrystEngComm, 2021, 23, 8482-8489
7243820	CIF	C52 H102 K4 N2 O64 Si W12	P 1 21/n 1	13.9948; 25.5334; 14.1995 90; 106.73; 90	4859.2	Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties CrystEngComm, 2021, 23, 8482-8489
7243821	CIF	C18 H18 Br4 I2 N4 O2	P -1	7.057; 12.6851; 14.8883 80.126; 77.986; 76.607	1257.45	Milašinović, Valentina; Molčanov, Krešimir Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer CrystEngComm, 2021, 23, 8209-8214
7243822	CIF	C18 H16 Br4 Cl0 I2 N2 O2	P 1 21/c 1	15.4807; 9.1376; 17.3524 90; 91.217; 90	2454.06	Milašinović, Valentina; Molčanov, Krešimir Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer CrystEngComm, 2021, 23, 8209-8214
7243823	CIF	C15 H14 Br2 Cl2 I2 N2 O	P 1 21/a 1	10.9816; 15.6952; 13.8514 90; 110.729; 90	2232.86	Milašinović, Valentina; Molčanov, Krešimir Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer CrystEngComm, 2021, 23, 8209-8214
7243824	CIF	C20 H18 Br4 Cl2 I2 N2 O2	P -1	8.5741; 9.1611; 9.2506 105.323; 94.024; 95.605	693.94	Milašinović, Valentina; Molčanov, Krešimir Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer CrystEngComm, 2021, 23, 8209-8214
7243825	CIF	C20 H30 Br4 I2 N4 O2	P b a m	13.9401; 13.8771; 7.6055 90; 90; 90	1471.27	Milašinović, Valentina; Molčanov, Krešimir Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer CrystEngComm, 2021, 23, 8209-8214
7243826	CIF	C9 H8 Br2 I N O	P 1 21/c 1	7.773; 9.519; 17.246 90; 91.254; 90	1275.7	Milašinović, Valentina; Molčanov, Krešimir Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer CrystEngComm, 2021, 23, 8209-8214
7243827	CIF	C29 H15 N5	P -1	6.95; 7.941; 21.253 96.36; 93.79; 101.98	1135.5	Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems CrystEngComm, 2021, 23, 8462-8470
7243828	CIF	C2.82 H1.64 N0.27	P -1	9.951; 11.055; 11.472 61.503; 81.14; 82.377	1093.3	Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems CrystEngComm, 2021, 23, 8462-8470
7243829	CIF	C29 H18 N3	P 1 21/n 1	14.271; 10.228; 14.842 90; 98.44; 90	2142.9	Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems CrystEngComm, 2021, 23, 8462-8470
7243830	CIF	C43 H34 N2 O9.56	P 1 21/c 1	11.6758; 9.9495; 31.6357 90; 94.133; 90	3665.5	Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions CrystEngComm, 2021, 23, 8334-8342
7243831	CIF	C43 H35 N2 O9	P 1 21/n 1	11.5248; 9.7579; 33.3652 90; 95.796; 90	3733	Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions CrystEngComm, 2021, 23, 8334-8342
7243832	CIF	C43.59 H33.41 N2.59 O8.41	P 1 21/n 1	11.1855; 9.8257; 33.0145 90; 92.215; 90	3625.76	Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions CrystEngComm, 2021, 23, 8334-8342
7243833	CIF	C86 H74 N4 O19	P 1 21/c 1	11.8376; 9.829; 31.8542 90; 95.889; 90	3686.7	Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions CrystEngComm, 2021, 23, 8334-8342
7243834	CIF	C30 H49 N5 O4	P 1	7.1986; 7.591; 28.718 84.702; 89.324; 80.32	1540.3	Polacchi, Luca; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence Enhanced mechano-responsive fluorescence in polydiacetylene thin films through functionalization with tetrazine dyes: photopolymerization, energy transfer and AFM coupled to fluorescence microscopy studies Physical Chemistry Chemical Physics, 2021
7243835	CIF	C44 H89 O8 P2	P 1 21/n 1	21.43; 13.5076; 9.2943 90; 113.17; 90	2473.4	Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network CrystEngComm, 2021, 23, 7717-7719
7243836	CIF	C48 H81 O8 P2	P -1	13.8216; 10.531; 9.538 83.576; 93.435; 109.149	1302.86	Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network CrystEngComm, 2021, 23, 7717-7719
7243837	CIF	C21 O4 P	C c c a :2	19.5817; 19.58544; 12.02036 90; 90; 90	4610	Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network CrystEngComm, 2021, 23, 7717-7719
7243838	CIF	C22 H45 O4 P	C 1 2/c 1	9.3115; 13.0344; 19.6397 90; 91.56; 90	2382.78	Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network CrystEngComm, 2021, 23, 7717-7719
7243839	CIF	C42 H76 O8 P2	C c c a :2	19.1921; 20.0035; 11.7616 90; 90; 90	4515.4	Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network CrystEngComm, 2021, 23, 7717-7719
7243840	CIF	C24 H41 O4 P	P -1	9.5325; 10.0097; 13.4783 74.634; 87.007; 81.876	1227.5	Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network CrystEngComm, 2021, 23, 7717-7719
7243841	CIF	C16 H25 O4 P	C 1 2/c 1	15.9106; 14.2542; 15.9668 90; 95.032; 90	3607.2	Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network CrystEngComm, 2021, 23, 7717-7719
7243842	CIF	C23 H22 I N O4	P 1 21/c 1	15.4121; 8.5604; 15.8404 90; 98.365; 90	2067.65	Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines Green Chemistry, 2021, 23, 9165-9171
7243843	CIF	C25 H25 N O4	P 1 21/n 1	9.216; 21.035; 10.878 90; 98.207; 90	2087.2	Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines Green Chemistry, 2021, 23, 9165-9171
7243844	CIF	C23 H22 I N O4	P 1 21/c 1	8.0055; 15.3728; 17.6184 90; 101.571; 90	2124.18	Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines Green Chemistry, 2021, 23, 9165-9171
7243845	CIF	C32 H63 N O3	P c a 21	8.7755; 4.8774; 72.679 90; 90; 90	3110.8	Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021
7243846	CIF	C29 H55 N O3	C 1 2/c 1	135.24; 4.8798; 8.7392 90; 91.27; 90	5766	Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021
7243847	CIF	C31 H61 N O3	C 1 2/c 1	144.31; 4.888; 8.748 90; 91.444; 90	6169	Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021
7243848	CIF	C2 H3.93 N0.07 O0.2	P 1 21/c 1	68.97; 4.852; 8.906 90; 92.787; 90	2977	Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021
7243849	CIF	C31 H60 N O3	C 1 2/c 1	143.4; 4.8764; 8.7342 90; 91.137; 90	6106.4	Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021
7243850	CIF	C15 H18 N2 O3 S	C 1 2/c 1	18.2332; 7.3341; 25.197 90; 101.888; 90	3297.2	Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives RSC Advances, 2021, 11, 35737-35753
7243851	CIF	C14 H15 Cl N2 O2 S	P -1	7.3066; 10.4657; 10.6788 107.568; 90.583; 107.829	736.37	Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives RSC Advances, 2021, 11, 35737-35753
7243852	CIF	C15 H18 N2 O2 S	P -1	7.3603; 9.4648; 12.2076 74.216; 88.729; 69.819	765.7	Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives RSC Advances, 2021, 11, 35737-35753
7243853	CIF	C16 H10 F N O2	P 1 21/n 1	5.77617; 28.7775; 7.41435 90; 95.123; 90	1227.52	Aksenov, Alexander V.; Aksenov, Nicolai A.; Kirilov, Nikita K.; Skomorokhov, Anton A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Sorokina, Elena A.; Nobi, Mezvah A.; Rubin, Michael Does electrophilic activation of nitroalkanes in polyphosphoric acid involve formation of nitrile oxides? RSC Advances, 2021, 11, 35937-35945
7243854	CIF	C34 H55 N5 O8	P 21 21 21	9.5985; 23.0985; 16.6315 90; 90; 90	3687.4	Nandi, Sujay Kumar; Mondal, Saikat; Mondal, Sahabaj; Gumtya, Milan; Haldar, Debasish Structure–mechanical property relationship of a pentapeptide crystal CrystEngComm, 2021, 23, 8093-8098
7243855	CIF	C22 H19 N O3 S Se	P 1 21/n 1	9.4942; 18.7603; 11.8071 90; 112.137; 90	1948	Liu, Gong-Qing; Zhou, Chen-Fan; Zhang, Yun-Qian; Yi, Wei; Wang, Peng-Fei; Liu, Ji; Ling, Yong Visible-light-induced intermolecular aminoselenation of alkenes Green Chemistry, 2021, 23, 9968-9973
7243856	CIF	C24 H21 N O3 S Se	P 1 21/c 1	14.6984; 11.124; 14.3493 90; 117.396; 90	2083.1	Liu, Gong-Qing; Zhou, Chen-Fan; Zhang, Yun-Qian; Yi, Wei; Wang, Peng-Fei; Liu, Ji; Ling, Yong Visible-light-induced intermolecular aminoselenation of alkenes Green Chemistry, 2021, 23, 9968-9973
7243857	CIF	C24 H29 N O2 S Se	P 1 21 1	9.8465; 23.1935; 10.1145 90; 108.968; 90	2184.5	Liu, Gong-Qing; Zhou, Chen-Fan; Zhang, Yun-Qian; Yi, Wei; Wang, Peng-Fei; Liu, Ji; Ling, Yong Visible-light-induced intermolecular aminoselenation of alkenes Green Chemistry, 2021, 23, 9968-9973
7243858	CIF	C97 H86 N10 Nd2 O32 Zn6	P 1 21/n 1	20.327; 23.139; 25.376 90; 94.941; 90	11891	Niu, Mengyu; Yang, Xiaoping; Ma, Yanan; Wang, Chengri; Schipper, Desmond NIR luminescent detection of quercetin based on an octanuclear Zn(ii)–Nd(iii) salen nanocluster RSC Advances, 2021, 11, 35893-35897
7243859	CIF	C13 H15 B F4 Te	P n m a	14.263; 6.745; 14.31 90; 90; 90	1376.68	Sashida, Haruki; Ohyanagi, Kazuo; Minoura, Mao; Akiba, Kin-ya Studies on tellurium-containing heterocycles. Part 18. Preparation and structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts Journal of the Chemical Society, Perkin Transactions 1, 2002, 606-612
7243860	CIF	C13 H15 B F4 Se	P n m a	13.842; 6.786; 14.296 90; 90; 90	1342.85	Sashida, Haruki; Ohyanagi, Kazuo; Minoura, Mao; Akiba, Kin-ya Studies on tellurium-containing heterocycles. Part 18. Preparation and structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts Journal of the Chemical Society, Perkin Transactions 1, 2002, 606-612
7243861	CIF	C38 H26 Cd N6 O10	P 1 21/n 1	13.0139; 8.364; 15.6352 90; 105.259; 90	1641.87	Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline CrystEngComm, 2021, 23, 8077-8086
7243862	CIF	C32 H25 Cd N5 O9	P -1	7.4456; 10.0938; 20.1002 80.984; 81.683; 87.5	1475.9	Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline CrystEngComm, 2021, 23, 8077-8086
7243863	CIF	C21 H18 Cd N2 O6	P -1	8.604; 10.136; 11.831 90.865; 101.993; 101.402	987.6	Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline CrystEngComm, 2021, 23, 8077-8086
7243864	CIF	C44 H42 Cd3 N4 O16	P 1 21/c 1	6.8068; 22.8205; 14.2425 90; 92.986; 90	2209.35	Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline CrystEngComm, 2021, 23, 8077-8086
7243865	CIF	C33 H26 N4 O6 Zn	P -1	9.033; 9.906; 19.233 98.94; 96.928; 115.762	1496.5	Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline CrystEngComm, 2021, 23, 8077-8086
7243866	CIF	C40 H20 Cd2 Cl8 N4 O10	P -1	4.8119; 12.3498; 34.966 90.387; 93.527; 93.29	2070.4	Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline CrystEngComm, 2021, 23, 8077-8086
7243867	CIF	C32 H26 Cd N4 O8	C 1 2/c 1	21.4405; 10.1496; 27.784 90; 108.755; 90	5725.1	Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline CrystEngComm, 2021, 23, 8077-8086
7243868	CIF	C3.62 H3.12 N0.5 O Zn0.12	P -1	8.609; 9.6249; 17.9177 97.561; 94.156; 116.185	1306.43	Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline CrystEngComm, 2021, 23, 8077-8086
7243869	CIF	C72 H76 Cl4 Mn N8 O22 Zr6	P -1	11.1927; 12.9714; 21.8377 80.98; 77.033; 76.035	2980.6	Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light CrystEngComm, 2021, 23, 8115-8120
7243870	CIF	C36 H52 Cl3 N4 Ni O19 Zr3	P 21 21 21	10.51; 16.988; 29.61 90; 90; 90	5287	Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light CrystEngComm, 2021, 23, 8115-8120
7243871	CIF	C70 H81 Mn6 N12 Na3 O47	R -3 :H	16.9618; 16.9618; 28.201 90; 90; 120	7026.5	Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu Single-molecule magnet achieved through topological tuning with sodium ions CrystEngComm, 2021, 23, 8490-8497
7243872	CIF	C38 H39 Mn3 N8 O24	P -1	11.6155; 13.4396; 16.6802 86.026; 75.057; 85.102	2503.64	Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu Single-molecule magnet achieved through topological tuning with sodium ions CrystEngComm, 2021, 23, 8490-8497
7243873	CIF	C45 H51 Mn3 N6 Na2 O21	P -1	13.502; 14.1079; 15.3728 84.81; 68.896; 77.273	2664.6	Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu Single-molecule magnet achieved through topological tuning with sodium ions CrystEngComm, 2021, 23, 8490-8497
7243874	CIF	C10 H13 N O4 S3	P n a 21	12.8766; 6.3085; 16.9497 90; 90; 90	1376.86	Gong, Kai; Zhou, Yilin; Jiang, Xuefeng From symmetrical tetrasulfides to trisulfide dioxides via photocatalysis Green Chemistry, 2021, 23, 9865-9869
7243875	CIF	C16 H12 O5	P 1 21/n 1	7.0308; 14.1809; 24.9877 90; 92.536; 90	2488.91	Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach RSC Advances, 2021, 11, 35918-35936
7243876	CIF	C23 H26 O12	P 1 21 1	11.5283; 8.0352; 24.3766 90; 103.495; 90	2195.7	Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach RSC Advances, 2021, 11, 35918-35936
7243877	CIF	C17 H14 O6	P 1 21/c 1	4.921; 21.735; 13.1847 90; 96.263; 90	1401.8	Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach RSC Advances, 2021, 11, 35918-35936
7243878	CIF	C39 H48 Cl2 Dy N9 O4	P -1	12.765; 12.8233; 14.6204 76.975; 64.278; 68.218	1996.2	Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization CrystEngComm, 2021, 23, 8343-8350
7243879	CIF	C41 H43 Dy N10 O10	P -1	9.1671; 11.9694; 19.5627 84.62; 84.325; 88.419	2126.2	Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization CrystEngComm, 2021, 23, 8343-8350
7243880	CIF	C40 H42 Dy N11 O11	P -1	9.2418; 11.8854; 19.2808 81.334; 82.417; 88.254	2075.24	Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization CrystEngComm, 2021, 23, 8343-8350
7243881	CIF	C40 H43 Dy N10 O9	P 1 21/c 1	11.8504; 9.1104; 37.8203 90; 97.811; 90	4045.3	Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization CrystEngComm, 2021, 23, 8343-8350
7243882	CIF	C163 H183 B2 Dy2 O14 Si4	C 1 2/c 1	46.8542; 18.1479; 18.2239 90; 112.584; 90	14307.6	Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A. Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization CrystEngComm, 2021, 23, 8351-8359
7243883	CIF	C70 H77 Dy O7 Si3	P 1 21 1	14.334; 16.468; 14.54 90; 113.635; 90	3144.3	Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A. Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization CrystEngComm, 2021, 23, 8351-8359
7243884	CIF	C72 H69 Dy N2 O5 Si3	P 1 21 1	14.2745; 16.2901; 15.0762 90; 115.806; 90	3156.1	Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A. Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization CrystEngComm, 2021, 23, 8351-8359
7243885	CIF	C82 H96 B Dy O6 Sn2	P -1	14.2076; 14.4956; 20.1298 75.221; 83.003; 64.803	3626.7	Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A. Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization CrystEngComm, 2021, 23, 8351-8359
7243886	CIF	C45 H93 Ag2 Mo8 N9 O27	P -1	16.5639; 17.9149; 25.3059 104.626; 106.317; 91.236	6938.6	Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N. Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition CrystEngComm, 2021, 23, 8527-8537
7243887	CIF	C42 H86 Ag2 Mo8 N8 O26	P b c a	17.5214; 16.1843; 23.4644 90; 90; 90	6653.8	Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N. Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition CrystEngComm, 2021, 23, 8527-8537
7243888	CIF	C45 H93 Ag2 Mo8 N9 O27	P -1	12.9493; 16.7502; 18.016 88.198; 74.295; 68.962	3501.7	Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N. Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition CrystEngComm, 2021, 23, 8527-8537
7243889	CIF	C32 H34 Cl3 N O3	P 1 21/c 1	11.4556; 26.8887; 9.5696 90; 91.164; 90	2947.08	Tomar, Devendrasingh; Lodagekar, Anurag; Gunnam, Anilkumar; Allu, Suryanarayana; Chavan, Rahul B.; Tharkar, Minakshi; Ajithkumar, T. G.; Nangia, Ashwini K.; Shastri, Nalini R. The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine CrystEngComm, 2022, 24, 156-168
7243890	CIF	C24 H22 N4 O4 Zn	P 21 21 21	8.3124; 14.5576; 17.939 90; 90; 90	2170.8	Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water CrystEngComm, 2022, 24, 169-181
7243891	CIF	C24 H26 Cd N4 O6	P 1 2/n 1	9.0815; 19.394; 14.389 90; 101.562; 90	2482.9	Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water CrystEngComm, 2022, 24, 169-181
7243892	CIF	C18 H23 N O4	P b c a	11.7444; 7.6959; 34.758 90; 90; 90	3141.6	Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water CrystEngComm, 2022, 24, 169-181
7243893	CIF	C22 H19 Cl F N4 O2 S	P 1 21/n 1	7.17026; 21.7971; 13.6848 90; 98.637; 90	2114.55	Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions Green Chemistry, 2021, 23, 9571-9576
7243894	CIF	C23 H20 Cl N O4 S	P 1 21/c 1	12.7213; 10.0584; 17.2909 90; 106.273; 90	2123.84	Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions Green Chemistry, 2021, 23, 9571-9576
7243895	CIF	C25 H25 N O4 S	I 1 2/a 1	19.8661; 9.09317; 25.7813 90; 109.671; 90	4385.48	Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions Green Chemistry, 2021, 23, 9571-9576
7243896	CIF	C23 H22 N4 O2 S	P b c a	8.65981; 17.7339; 27.7046 90; 90; 90	4254.66	Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions Green Chemistry, 2021, 23, 9571-9576
7243897	CIF	C36 H29 Eu N2 O6 S3	P -1	9.1817; 13.0615; 15.0182 96.107; 92.85; 104.079	1731.72	Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021
7243898	CIF	C36 H23 Eu F6 N2 O6 S3	P -1	9.4489; 13.2007; 14.8576 90.152; 94.059; 102.044	1807.6	Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021
7243899	CIF	C42 H20 Eu F21 N2 O6 S3	P b c a	20.6112; 17.9832; 25.1758 90; 90; 90	9331.5	Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021
7243900	CIF	C39 H26 Eu F9 N2 O7 S3	P 1 21 1	9.8914; 10.6986; 38.1886 90; 89.992; 90	4041.3	Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021
7243901	CIF	C45 H20 Eu F27 N2 O6 S3	P -1	15.2499; 15.6839; 22.6048 78.939; 89.664; 79.532	5215.5	Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021
7243902	CIF	C25 H23 Fe2 N O3	P -1	5.8955; 12.6957; 15.6399 66.206; 86.515; 80.988	1057.88	Stevanović, Dragana; Bugarinović, Jovana; Pešić, Marko; Todosijević, Anka; Bogdanović, Goran A.; Damljanović, Ivan Chemoselective synthesis of multifunctional ferrocene-containing derivatives by the cross Rauhut–Currier reaction RSC Advances, 2021, 11, 36208-36214
7243903	CIF	C54 H42 N14 Ni	R -3 :H	16.0135; 16.0135; 26.0061 90; 90; 120	5775.4	Li, Bei; Lei, Qingjuan; Qin, Tong; Zhang, Xiaoxian; Zhao, Dongsheng; Wang, Feng; Li, Wenqian; Zhang, Zhengguo; Fan, Liming Anion exchange strategy to improve electrocatalytic hydrogen evolution performances in cationic metal–organic frameworks CrystEngComm, 2021, 23, 8260-8264
7243904	CIF	Cs3 Ga2 H I8 O25	P 1 21/m 1	7.9191; 21.1203; 8.6696 90; 111.691; 90	1347.35	Wang, Dandan; Jiang, Xiaoqing; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng A new I3O93− group constructed from IO3− and IO55− anion units in Cs3[Ga2O(I3O9)(IO3)4(HIO3)] CrystEngComm, 2022, 24, 77-82
7243905	CIF	C108 H84 N18 O36 Zn3	P 65	15.4575; 15.4575; 88.791 90; 90; 120	18373	Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode CrystEngComm, 2021, 23, 8546-8552
7243906	CIF	C108 H84 N18 O36 Zn3	P 61	15.531; 15.531; 89.937 90; 90; 120	18787	Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode CrystEngComm, 2021, 23, 8546-8552
7243907	CIF	C108 H88 N18 O38 Zn3	P 65	15.3498; 15.3498; 84.37 90; 90; 120	17215.7	Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode CrystEngComm, 2021, 23, 8546-8552
7243908	CIF	C108 H84 N18 O38 Zn3	P 61	15.1763; 15.1763; 84.264 90; 90; 120	16807.6	Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode CrystEngComm, 2021, 23, 8546-8552
7243909	CIF	C31 H29 N O2	P b c a	16.7706; 9.876; 30.6219 90; 90; 90	5071.8	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243910	CIF	C31 H29 N O2	P b c a	16.955; 9.9034; 30.69 90; 90; 90	5153.2	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243911	CIF	C31 H29 N O2	P b c a	16.8821; 9.894; 30.6933 90; 90; 90	5126.7	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243912	CIF	C31 H29 N O2	P b c a	17.015; 9.93; 30.709 90; 90; 90	5189	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243913	CIF	C31 H29 N O2	P b c a	16.9294; 9.9015; 30.714 90; 90; 90	5148.5	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243914	CIF	C31 H29 N O2	P b c a	17.064; 9.9101; 30.823 90; 90; 90	5212.4	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243915	CIF	C31 H29 N O2	P b c a	16.988; 9.9204; 30.779 90; 90; 90	5187.1	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243916	CIF	C31 H29 N O2	P b c a	16.8302; 9.886; 30.6702 90; 90; 90	5103	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243917	CIF	C31 H29 N O2	P b c a	16.856; 9.8906; 30.6845 90; 90; 90	5115.6	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243918	CIF	C31 H29 N O2	P b c a	16.8024; 9.8815; 30.6532 90; 90; 90	5089.4	Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction CrystEngComm, 2022, 24, 231-234
7243919	CIF	Mo132 N25.8 O628.56 Se30	R -3 :H	32.7739; 32.7739; 73.5789 90; 90; 120	68444.8	Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N. Structural features of selenate based {Mo132} keplerate capsules CrystEngComm, 2022, 24, 321-329
7243920	CIF	C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30	R -3 c :H	50.337; 50.337; 61.099 90; 90; 120	134072	Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N. Structural features of selenate based {Mo132} keplerate capsules CrystEngComm, 2022, 24, 321-329
7243921	CIF	C15 H5 Cd2 N7 O8	P -1	8.3887; 10.3405; 11.1345 80.652; 89.883; 80.627	940	Li, Jing; Zhao, Yun-Xiu; Wu, Qian; Yang, Hua; Lu, Jing; Ma, Hui-Yan; Wang, Su-Na; Li, Yun-Wu A Cd-MOF fluorescence sensor with dual functional sites for efficient detection of metal ions in multifarious water environments CrystEngComm, 2021, 23, 8392-8403
7243922	CIF	C32 H26 F12 N6 P2 Ru	P 1 21/c 1	13.3118; 18.7973; 13.9779 90; 97.417; 90	3468.37	Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety RSC Advances, 2021, 11, 36644-36650
7243923	CIF	C34 H30 F6 N6 O6 Ru S2	P 1 21/n 1	11.2579; 17.1076; 19.0176 90; 95.982; 90	3642.76	Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety RSC Advances, 2021, 11, 36644-36650
7243924	CIF	C34 H26 F10 N6 O6 Ru S2	P -1	10.0063; 10.2443; 10.4305 114.725; 93.032; 100.152	946.35	Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety RSC Advances, 2021, 11, 36644-36650
7243925	CIF	C34 H30 F12 N6 P2 Ru	P -1	13.2725; 13.5131; 13.7967 104.582; 103.059; 116.309	1977.56	Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety RSC Advances, 2021, 11, 36644-36650
7243926	CIF	C36 H34 F6 N6 O6 Ru S2	P 1 21/n 1	11.2388; 22.2125; 15.9788 90; 91.188; 90	3988.12	Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety RSC Advances, 2021, 11, 36644-36650
7243927	CIF	C22 H15 N O5	P -1	8.2293; 10.0168; 21.787 79.927; 88.945; 89.73	1767.94	Mousavi, Seyedeh Hekmat; Mohammadizadeh, Mohammad Reza; Poorsadeghi, Samira; Arimitsu, Satoru; Mohammadsaleh, Fatemeh; Kojya, Genta; Gima, Shinichi One-pot synthesis of new alkyl 1-naphthoates bearing quinoline, pyranone and cyclohexenone moieties via metal-free sequential addition/oxidation reactions RSC Advances, 2021, 11, 36748-36752
7243928	CIF	C29 H22 Co N3 O5	C 1 2/c 1	14.1916; 14.043; 26.3455 90; 92.889; 90	5243.8	Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity CrystEngComm, 2021, 23, 8563-8571
7243929	CIF	C76 H66 Co2 N14 O14	P 1 21/n 1	12.622; 11.7644; 23.5657 90; 95.079; 90	3485.5	Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity CrystEngComm, 2021, 23, 8563-8571
7243930	CIF	C44 H42 N6 O6 Zn	P 1 21/c 1	16.8783; 14.9191; 16.6035 90; 108.071; 90	3974.7	Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions CrystEngComm, 2022, 24, 182-191
7243931	CIF	C123 H93 N12 O22.5 Zn6	P -1	10.8732; 15.9024; 17.0471 105.773; 103.099; 91.265	2751.8	Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions CrystEngComm, 2022, 24, 182-191
7243932	CIF	C131 H106 Cd9 N6 O54	P b c m	13.985; 25.773; 25.773 90; 90; 90	9289.5	Wang, Xiao-Qing; Ma, Xuehui; Feng, Doudou; Wu, Dan; Yang, Jie A stable Ln(iii)-functionalized Cd(ii)-based metal–organic framework: tunable white-light emission and fluorescent probe for monitoring bilirubin RSC Advances, 2021, 11, 36913-36919
7243933	CIF	C66 H88 O8 S6	P -1	11.1603; 11.9646; 13.1785 81.0129; 70.9839; 80.0849	1629.33	Kaiser, Lukáš; Landovský, Tomáš; Salvadori, Karolína; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel Breaking thiacalix[4]arene into pieces – a novel synthetic approach to higher calixarenes bearing mixed (–S–, –CH2–) bridges RSC Advances, 2021, 11, 36934-36941
7243934	CIF	C54 H72 O7 S3	P -1	13.233; 14.4941; 14.675 71.9424; 82.1907; 89.1864	2650.05	Kaiser, Lukáš; Landovský, Tomáš; Salvadori, Karolína; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel Breaking thiacalix[4]arene into pieces – a novel synthetic approach to higher calixarenes bearing mixed (–S–, –CH2–) bridges RSC Advances, 2021, 11, 36934-36941
7243935	CIF	C29.42 H25.64 F2 N5.21 O4 S2	C 1 2 1	29.078; 8.723; 12.0174 90; 93.915; 90	3041.1	Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L. Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance CrystEngComm, 2021, 23, 8513-8526
7243936	CIF	C22 H19 F2 N5 O2 S	P 21 21 21	7.892; 11.2256; 24.2967 90; 90; 90	2152.5	Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L. Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance CrystEngComm, 2021, 23, 8513-8526
7243937	CIF	C22 H17 F2 N5 O S	P 1 21 1	5.825; 17.3293; 9.7547 90; 97.072; 90	977.18	Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L. Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance CrystEngComm, 2021, 23, 8513-8526
7243938	CIF	C22 H20 F2 N5 O5 P S	P 21 21 21	6.1215; 11.1722; 34.3989 90; 90; 90	2352.56	Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L. Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance CrystEngComm, 2021, 23, 8513-8526
7243939	CIF	C8 H10 N4 Zn	I -4 3 m	17.497; 17.497; 17.497 90; 90; 90	5357	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243940	CIF	Cl4 K2 Pt	P 4/m m m	7.0688; 7.0688; 4.157 90; 90; 90	207.72	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243941	CIF	C18 H12 N6	C 1 2/c 1	13.507; 11.432; 11.114 90; 109.81; 90	1615	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243942	CIF	C9 H12 N3 O5	P 21 21 21	5.1022; 13.858; 14.596 90; 90; 90	1032	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243943	CIF	C24 H18	P n a 21	7.8; 20.2; 11.5 90; 90; 90	1812	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243944	CIF	C23 H36 N2 O2	P 21 21 21	6.66; 13.2; 26.77 90; 90; 90	2353	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243945	CIF	C22 H24 Cl F N4 O3	P -1	9.146; 9.99; 13.028 93.78; 97; 101.72	1151.8	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243946	CIF	C12 H8 F3 N5 O3 S	P -1	8.302; 10.025; 10.638 115.25; 91.67; 95.51	794.7	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243947	CIF	C9 H11 N O3	P 21 21 21	5.96; 7.09; 21.59 90; 90; 90	912	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243948	CIF	C6 H12 O6	P 21 21 21	5.177; 10.691; 15.272 90; 90; 90	845.3	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243949	CIF	C8 H9 N O2	P 1 21/n 1	7.344; 9.645; 12.087 90; 97.37; 90	849.1	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243950	CIF	C42 H28	C m c e	26.34; 7.03; 14.16 90; 90; 90	2622	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243951	CIF	C42 H28 Fe N10	P 1 21/c 1	9.25; 19.99; 9.66 90; 111.6; 90	1661	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630
7243952	CIF	C6 Cl5 I	P 1 21/n 1	8.1229; 3.9138; 15.0718 90; 92.013; 90	478.86	Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal CrystEngComm, 2021, 23, 8265-8268
7243953	CIF	C18 H8 Cl5 I N2	P -1	3.9516; 11.1045; 12.2703 112.085; 91.11; 96.392	494.72	Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal CrystEngComm, 2021, 23, 8265-8268
7243954	CIF	C16 H8 Cl5 I N4	P -1	3.9144; 10.6909; 12.4925 111.51; 93.205; 91.807	484.858	Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal CrystEngComm, 2021, 23, 8265-8268
7243955	CIF	C18 H10 Cl5 I N2	P -1	3.9746; 10.7984; 12.4426 111.056; 93.327; 93.491	495.61	Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal CrystEngComm, 2021, 23, 8265-8268
7243956	CIF	C89.5 H112.5 N2.5 O41 Yb6	P 1 21/n 1	12.4079; 20.8937; 19.4442 90; 90.801; 90	5040.4	Slyusarchuk, Valentyna D.; Hawes, Chris S. Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs CrystEngComm, 2022, 24, 484-490
7243957	CIF	C25 H32 N3.33 O6.67 Zn	P n n a	11.3429; 12.4311; 18.5115 90; 90; 90	2610.2	Slyusarchuk, Valentyna D.; Hawes, Chris S. Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs CrystEngComm, 2022, 24, 484-490
7243958	CIF	C34 H30 Mn2 N6 O14	P -1	7.143; 9.3717; 13.017 85.852; 75.893; 89.95	842.8	Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration RSC Advances, 2021, 11, 37403-37412
7243959	CIF	C24 H16 N4 O10 Zn	P 1 21/c 1	13.7121; 17.737; 9.5694 90; 93.303; 90	2323.5	Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration RSC Advances, 2021, 11, 37403-37412
7243960	CIF	C17 H16 Cl N3 O7 Zn	P -1	8.5124; 9.503; 12.0869 75.923; 84.467; 80.995	934.96	Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration RSC Advances, 2021, 11, 37403-37412
7243961	CIF	C6 H3 Br N2 S	P -1	7.1075; 7.197; 7.635 68.754; 76.414; 69.876	339.06	Anderson, Trent E.; Culver, Evan W.; Badía-Domínguez, Irene; Wilcox, Wyatt D.; Buysse, Claire E.; Ruiz Delgado, M. Carmen; Rasmussen, Seth C. Probing the nature of donor-acceptor effects in conjugated materials: a joint experimental and computational study of model conjugated oligomers. Physical chemistry chemical physics : PCCP, 2021
7243962	CIF	C12 H8 N2 O2 S2	P 1 21/c 1	3.8786; 21.357; 13.401 90; 96.283; 90	1103.4	Anderson, Trent E.; Culver, Evan W.; Badía-Domínguez, Irene; Wilcox, Wyatt D.; Buysse, Claire E.; Ruiz Delgado, M. Carmen; Rasmussen, Seth C. Probing the nature of donor-acceptor effects in conjugated materials: a joint experimental and computational study of model conjugated oligomers. Physical chemistry chemical physics : PCCP, 2021
7243963	CIF	C24 H19 Br2 N5 Pd	C 1 2/c 1	18.6682; 15.9603; 8.1346 90; 94.651; 90	2415.7	Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes RSC Advances, 2021, 11, 37684-37699
7243964	CIF	C17 H16 Br2 N4 Pd	P -1	7.4786; 11.0996; 11.7959 90.731; 100.478; 106.482	921.1	Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes RSC Advances, 2021, 11, 37684-37699
7243965	CIF	C16 H17 Br2 N3 Pd	P -1	10.0563; 14.191; 14.2442 72.709; 72.523; 72.84	1803.4	Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes RSC Advances, 2021, 11, 37684-37699
7243966	CIF	C13 H6 O6 Tb	P 1 21/c 1	12.9504; 12.8021; 6.8288 90; 94.149; 90	1129.2	Qiu, Miao-Miao; Chen, Ke-Fu; Liu, Qi-Rui; Miao, Wei-Ni; Liu, Bing; Xu, Ling A ratiometric fluorescent sensor made of a terbium coordination polymer for the anthrax biomarker 2,6-dipicolinic acid with on-site detection assisted by a smartphone app CrystEngComm, 2022, 24, 132-142
7243967	CIF	C38 H43 Cl2 N3 O3 Ru	P -1	8.8611; 10.6837; 19.3949 74.511; 87.898; 89.558	1768.22	Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A. Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions RSC Advances, 2021, 11, 37866-37876
7243968	CIF	C37 H43 Cl2 N3 O3 Ru S	R -3 :H	28.642; 28.642; 24.4463 90; 90; 120	17368	Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A. Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions RSC Advances, 2021, 11, 37866-37876
7243969	CIF	C44 H49 Cl4 N3 O4 Ru S	P 1 21/c 1	12.038; 14.886; 24.18 90; 91.36; 90	4332	Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A. Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions RSC Advances, 2021, 11, 37866-37876
7243970	CIF	C30 H25 N5 O2	P -1	11.5136; 14.4562; 16.368 75.824; 85.556; 89.48	2633.3	Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism CrystEngComm, 2022, 24, 543-551
7243971	CIF	C26 H21 Cd0.5 Cl N3 O2	P -1	7.2058; 7.774; 20.4876 86.501; 89.897; 83.117	1137.26	Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism CrystEngComm, 2022, 24, 543-551
7243972	CIF	C17 H23 Eu N3 O11	C 1 2/c 1	25.0401; 13.9581; 14.3689 90; 102.219; 90	4908.3	Hang, Meng-Ting; Cheng, Yi; Wang, Yi-Tong; Li, Huan; Zheng, Meng-Qi; He, Ming-Yang; Chen, Qun; Zhang, Zhi-Hui Rational synthesis of isomorphic rare earth metal–organic framework materials for simultaneous adsorption and photocatalytic degradation of organic dyes in water CrystEngComm, 2022, 24, 552-559
7243973	CIF	C11 H10 Ca N2 O7	P -1	8.4045; 8.6975; 9.854 64.455; 86.316; 74.126	623.92	Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A. Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent CrystEngComm, 2022, 24, 601-608
7243974	CIF	C14 H16 Ca N4 O8	C 1 2/c 1	17.7069; 10.4537; 9.3801 90; 92.379; 90	1734.78	Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A. Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent CrystEngComm, 2022, 24, 601-608
7243975	CIF	C28 H34 Ca2 N8 O17	P -1	10.628; 13.31; 13.741 79.741; 73.155; 71.586	1757.1	Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A. Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent CrystEngComm, 2022, 24, 601-608
7243976	CIF	C11 H10 Ca N2 O5	P 21 21 21	6.7109; 10.271; 17.775 90; 90; 90	1225.19	Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A. Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent CrystEngComm, 2022, 24, 601-608
7243977	CIF	C22 H20 Ca2 N4 O10	P -1	7.0098; 10.9304; 16.616 92.618; 99.659; 102.704	1219.82	Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A. Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent CrystEngComm, 2022, 24, 601-608
7243978	CIF	C22 H20 Ca2 N4 O10	P 1 21/n 1	6.8835; 17.9272; 20.4957 90; 90.043; 90	2529.2	Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A. Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent CrystEngComm, 2022, 24, 601-608
7243979	CIF	C16 H19 Cl N2 O	P 21 21 21	7.78804; 10.18953; 19.93923 90; 90; 90	1582.31	Fauziev, Ruslan V.; Ivanov, Roman E.; Kuchurov, Ilya V.; Zlotin, Sergei G. A carbon dioxide-promoted three-component Strecker reaction Green Chemistry, 2021, 23, 10137-10144
7243980	CIF	C14 H13 Cl In N O7	C 1 2/c 1	19.824; 13.4404; 13.6238 90; 119.291; 90	3165.9	Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua Stable isomeric layered indium coordination polymers for high proton conduction CrystEngComm, 2022, 24, 294-299
7243981	CIF	C14 H11 In N2 O9	C 1 2/c 1	19.849; 13.4206; 13.6014 90; 119.38; 90	3157.2	Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua Stable isomeric layered indium coordination polymers for high proton conduction CrystEngComm, 2022, 24, 294-299
7243982	CIF	C19 H15 F3 N2 O	P 1 21/n 1	12.2095; 12.2629; 12.3037 90; 118.746; 90	1615.14	Li, Hong; Peng, Xiangjun; Nie, Liang; Zhou, Lin; Yang, Ming; Li, Fan; Hu, Jian; Yao, Zhiyang; Liu, Liangxian Graphene oxide-catalyzed trifluoromethylation of alkynes with quinoxalinones and Langlois' reagent RSC Advances, 2021, 11, 38667-38673
7243983	CIF	C5 H4 F N3 O2	P n a 21	9.144; 14.87; 4.5573 90; 90; 90	619.7	Tiyasakulchai, Thanat; Charoensetakul, Netnapa; Khamkhenshorngphanuch, Thitiphong; Thongpanchang, Chawanee; Srikun, Onsiri; Yuthavong, Yongyuth; Srimongkolpithak, Nitipol Scalable synthesis of favipiravir via conventional and continuous flow chemistry RSC Advances, 2021, 11, 38691-38693
7243984	CIF	C22 H17 F O4	P 1 21/n 1	18.116; 5.561; 18.91 90; 112.394; 90	1761.4	Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin [3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies RSC Advances, 2021, 11, 38648-38653
7243985	CIF	C22 H17 Cl O4	P 1 21/n 1	18.038; 5.5757; 19.59 90; 111.044; 90	1838.8	Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin [3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies RSC Advances, 2021, 11, 38648-38653
7243986	CIF	C22 H17 Br O4	P 1 21/n 1	18.073; 5.5804; 19.888 90; 109.898; 90	1886	Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin [3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies RSC Advances, 2021, 11, 38648-38653
7243987	CIF	C23 H17 N O4	C 1 2/c 1	31.098; 8.4741; 14.651 90; 97.962; 90	3823.7	Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin [3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies RSC Advances, 2021, 11, 38648-38653
7243988	CIF	C20 H16 O4 S	P 1 21 1	8.833; 6.042; 16.23 90; 103.32; 90	843	Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin [3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies RSC Advances, 2021, 11, 38648-38653
7243989	CIF	C23 H17 N O4	P 1 21 1	11.4044; 5.5305; 15.6417 90; 95.178; 90	982.5	Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin [3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies RSC Advances, 2021, 11, 38648-38653
7243990	CIF	C8 H24 Cl N O4	P n a 21	11.8741; 8.4164; 12.6736 90; 90; 90	1266.56	Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V. Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules CrystEngComm, 2022, 24, 38-42
7243991	CIF	C9 H16 Cl N O2	P 1 21/c 1	7.242; 10.069; 14.7992 90; 100.379; 90	1061.5	Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V. Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules CrystEngComm, 2022, 24, 38-42
7243992	CIF	C5 H15 Cl2 N O2	P 21 21 21	7.5628; 9.9033; 25.3929 90; 90; 90	1901.84	Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V. Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules CrystEngComm, 2022, 24, 38-42
7243993	CIF	C8 H24 Br N O4	P n a 21	12.0887; 8.5504; 12.7308 90; 90; 90	1315.9	Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V. Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules CrystEngComm, 2022, 24, 38-42
7243994	CIF	C21 H20 N2 O6	P 1 21 1	7.5119; 7.5163; 17.4195 90; 101.945; 90	962.24	Aitipamula, Srinivasulu; Shan, Loke Pei; Gupta, Krishna M. Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal CrystEngComm, 2022, 24, 560-570
7243995	CIF	C10 H7 N O2	C 1 2 1	19.7947; 9.4219; 3.5826 90; 98.7506; 90	660.39	Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl CrystEngComm, 2022, 24, 512-517
7243996	CIF	C10 H7 N O2	C 1	19.7858; 9.397; 3.5684 89.986; 98.729; 89.982	655.78	Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl CrystEngComm, 2022, 24, 512-517
7243997	CIF	C34 H41 Co F3 N5 O12 S	C 1 c 1	16.733; 12.1818; 17.9613 90; 91; 90	3660.64	Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L. Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines CrystEngComm, 2022, 24, 57-69
7243998	CIF	C64 H66 Cu4 F12 N10 O26 S4	P -1	12.5531; 13.0741; 14.6993 68.163; 65.87; 64.215	1926.33	Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L. Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines CrystEngComm, 2022, 24, 57-69
7243999	CIF	C31 H30.54 F3 N5 Ni O8.27 S	P -1	11.0416; 11.7979; 14.2305 104.917; 98.643; 113.012	1581.79	Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L. Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines CrystEngComm, 2022, 24, 57-69
7244000	CIF	C19 H15 Fe N S	P b c a	10.7762; 7.7571; 35.821 90; 90; 90	2994.4	Kulhánek, Jiří; Klikar, Milan; Pytela, Oldřich; R°užičková, Zdenka; Bureš, Filip Ferrocene donor linked to pyridine/pyridinium acceptor via a systematically enlarged π-linker RSC Advances, 2021, 11, 38804-38813
7244001	CIF	C23 H17 Fe N	P 1 21 1	10.696; 7.473; 21.224 90; 94.182; 90	1691.9	Kulhánek, Jiří; Klikar, Milan; Pytela, Oldřich; R°užičková, Zdenka; Bureš, Filip Ferrocene donor linked to pyridine/pyridinium acceptor via a systematically enlarged π-linker RSC Advances, 2021, 11, 38804-38813
7244002	CIF	C24 H22 Cu Fe N2 O5	P 1 21/c 1	5.8675; 20.1101; 18.3448 90; 98.579; 90	2140.4	Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J. Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands CrystEngComm, 2021, 23, 8198-8208
7244003	CIF	C24 H20 Co Fe N2 O4.48	P 1 21/c 1	6.34; 15.31; 23.14 90; 84.1; 90	2234	Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J. Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands CrystEngComm, 2021, 23, 8198-8208
7244004	CIF	C24 H18 Cu Fe N2 O5	P 1 21/c 1	5.707; 25.67; 14.37 90; 97.07; 90	2089	Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J. Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands CrystEngComm, 2021, 23, 8198-8208
7244005	CIF	C24 H21 Cd Fe N2 O4.5	P 1 21/c 1	5.9086; 16.8542; 21.1889 90; 92.684; 90	2107.78	Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J. Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands CrystEngComm, 2021, 23, 8198-8208
7244006	CIF	C38 H32 Fe N2 O5 Zn	P -1	10.2015; 12.2977; 13.0982 105.694; 92.706; 93.349	1575.88	Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J. Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands CrystEngComm, 2021, 23, 8198-8208
7244007	CIF	C24 H24 Co Fe N2 O6	P n n a	23.977; 12.069; 8.344 90; 90; 90	2414.6	Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J. Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands CrystEngComm, 2021, 23, 8198-8208
7244008	CIF	C38 H32 Co Fe N2 O5	P -1	10.241; 12.46; 13.234 106.27; 91.968; 93.26	1616.2	Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J. Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands CrystEngComm, 2021, 23, 8198-8208
7244009	CIF	C38 H30 Cu Fe N2 O4	P -1	10.7394; 12.0118; 12.6687 77.694; 78.073; 79.98	1547.74	Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J. Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands CrystEngComm, 2021, 23, 8198-8208
7244010	CIF	C4 H12 B N	P 1 21/c 1	10.6; 6.32; 9.48 90; 96.06; 90	632	Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes RSC Advances, 2021, 11, 34132-34136
7244011	CIF	C4 H12 B N	P b c a	7.078; 9.187; 18.233 90; 90; 90	1186	Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes RSC Advances, 2021, 11, 34132-34136
7244012	CIF	C6 H16 B N	P n a 21	9.5116; 12.6484; 6.5253 90; 90; 90	785.04	Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes RSC Advances, 2021, 11, 34132-34136
7244013	CIF	C3 H10 B N	P c a 21	8.519; 6.85; 8.309 90; 90; 90	484.9	Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes RSC Advances, 2021, 11, 34132-34136
7244014	CIF	C56.25 H45.25 N10.75 O1.75	P b c a	20.3991; 15.4857; 30.0422 90; 90; 90	9490.2	Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers CrystEngComm, 2022, 24, 491-503
7244015	CIF	C122 H80.1 Cl1.2 Cu3 F36 N9 O12	P 1 21/n 1	19.889; 21.178; 34.375 90; 104.32; 90	14029	Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers CrystEngComm, 2022, 24, 491-503
7244016	CIF	C32 H72 Br14 Mo6 N2	P 1 21/c 1	22.82; 11.9888; 22.879 90; 111.912; 90	5807.2	Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6] CrystEngComm, 2022, 24, 465-470
7244017	CIF	C32 H72 Br14 Mo6 N2	P 1 21/n 1	13.0071; 11.6664; 19.0278 90; 90.481; 90	2887.3	Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6] CrystEngComm, 2022, 24, 465-470
7244018	CIF	C32 H72 Br14 Mo6 N2	P 1 21/n 1	13.1355; 11.7629; 18.9747 90; 90.737; 90	2931.57	Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6] CrystEngComm, 2022, 24, 465-470
7244019	CIF	C24 H60 Mo12 N36 Ni7 O60 P	I 4/m	17.6067; 17.6067; 29.9221 90; 90; 90	9275.7	Zhuo, Jin-Long; Wang, Yun-Liang; Wang, Yu-Guang; Xu, Ming-Qi; Sha, Jing-Quan Surfactant-assisted fabrication and supercapacitor performances of a 12-phosphomolybdate-pillared metal–organic framework containing a helix and its SWNT nanocomposites CrystEngComm, 2022, 24, 579-586
7244020	CIF	C52 H98 Cu N24 O128 Si3 W36	P -1	14.767; 16.296; 18.365 71.143; 87.189; 84.839	4164.3	Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties CrystEngComm, 2022, 24, 587-600
7244021	CIF	C52 H66 Co Mo24 N24 O82 Si2	P 1 21/c 1	12.1279; 21.743; 21.136 90; 102.364; 90	5444.2	Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties CrystEngComm, 2022, 24, 587-600
7244022	CIF	C26 H44 Co3 Mo6 N12 O32 Te	P 1 21/c 1	13.7397; 10.2909; 17.8945 90; 105.235; 90	2441.3	Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties CrystEngComm, 2022, 24, 587-600
7244023	CIF	C52 H82 Cu5 Mo22 N24 O89 P2	P c a 21	23.2769; 13.9736; 19.3429 90; 90; 90	6291.5	Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties CrystEngComm, 2022, 24, 587-600
7244024	CIF	C12 H34 Cr Cu Mo6 N7 O31	P -1	12.2348; 13.557; 13.8907 110.677; 110.381; 98.307	1924.4	Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties CrystEngComm, 2022, 24, 587-600
7244025	CIF	C26 H52 Co2 N12 O45.5 P W11	P 1 21/c 1	19.0455; 14.5002; 23.178 90; 95.835; 90	6367.8	Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties CrystEngComm, 2022, 24, 587-600
7244026	CIF	C13 H37 Co2 Mo6 N6 Na O35 Te	P -1	8.3059; 10.2707; 27.0831 90.502; 95.784; 112.687	2117.91	Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties CrystEngComm, 2022, 24, 587-600
7244027	CIF	C24 H48 B2 F8 Fe0.66 N24 Ru0.34	R -3 :H	10.8269; 10.8269; 32.0261 90; 90; 120	3251.2	Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994
7244028	CIF	C24 H48 B2 F8 Fe0.66 N24 Ru0.34	R -3 :H	10.7344; 10.7344; 32.0067 90; 90; 120	3193.9	Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994
7244029	CIF	C24 H48 B2 F8 N24 Ru	R -3 :H	10.79309; 10.79309; 32.1264 90; 90; 120	3241.04	Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994
7244030	CIF	C24 H48 B2 F8 N24 Ru	R -3 :H	10.77425; 10.77425; 31.8415 90; 90; 120	3201.09	Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994
7244031	CIF	C24 H48 B2 F8 N24 Ru	P -1	11.7827; 10.88012; 16.3802 90.9202; 99.0617; 89.4706	2073.37	Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994
7244032	CIF	C41 H35 Cl2 N5 O2 P Rh	P 1 21/c 1	10.9618; 28.137; 12.411 90; 107.366; 90	3653.5	Yatabe, Takeshi; Futakuchi, Sayaka; Miyazawa, Keishi; Shimauchi, Daiki; Takahashi, Yukina; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji Reductive C(sp3)–C(sp3) homo-coupling of benzyl or allyl halides with H2 using a water-soluble electron storage catalyst RSC Advances, 2021, 11, 39450-39454
7244033	CIF	C24 H19 Cl N5 O2 Rh	P -1	8.823; 11.1353; 12.6467 64.079; 77.813; 71.596	1056.45	Yatabe, Takeshi; Futakuchi, Sayaka; Miyazawa, Keishi; Shimauchi, Daiki; Takahashi, Yukina; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji Reductive C(sp3)–C(sp3) homo-coupling of benzyl or allyl halides with H2 using a water-soluble electron storage catalyst RSC Advances, 2021, 11, 39450-39454
7244034	CIF	C30 H25 N5 O2	P -1	11.5136; 14.4562; 16.368 75.824; 85.556; 89.48	2633.3	Giri, Rajat Subhra; Mandal, Bhubaneswar Supramolecular helical self-assembly of small peptides CrystEngComm, 2022, 24, 10-32
7244035	CIF	C26 H21 Cd0.5 Cl N3 O2	P -1	7.2058; 7.774; 20.4876 86.501; 89.897; 83.117	1137.26	Giri, Rajat Subhra; Mandal, Bhubaneswar Supramolecular helical self-assembly of small peptides CrystEngComm, 2022, 24, 10-32
7244036	CIF	C19 H22 Cl3 N S2 Sn	P 1 21/n 1	10.12941; 16.43674; 13.38681 90; 96.9574; 90	2212.42	Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T. Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives CrystEngComm, 2022, 24, 962-974
7244037	CIF	C19 H15 N O3	P n a 21	21.52; 5.086; 13.68 90; 90; 90	1497	Malik, Manzoor Ahmad; Raza, Md Kausar; Mohammed, Arif; Wani, Mohmmad Younus; Al-Bogami, Abdullah Saad; Hashmi, Athar Adil Unravelling the anticancer potential of a square planar copper complex: toward non-platinum chemotherapy RSC Advances, 2021, 11, 39349-39361
7244038	CIF	C13 H9 Cl2 N O2	P -1	7.3849; 8.0981; 11.1254 72.216; 84.21; 74.767	611.13	Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems CrystEngComm, 2022, 24, 681-690
7244039	CIF	C15 H15 N O2	P 1 21/c 1	11.6672; 7.4166; 15.6676 90; 108.305; 90	1287.13	Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems CrystEngComm, 2022, 24, 681-690
7244040	CIF	C13 H9 Cl2 N O2	P 1 21/n 1	12.4611; 6.86735; 15.5404 90; 110.487; 90	1245.75	Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems CrystEngComm, 2022, 24, 681-690
7244041	CIF	C28 H25 Cl4 N3 O4	P 1 21/c 1	14.2255; 24.628; 8.1632 90; 99.282; 90	2822.49	Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems CrystEngComm, 2022, 24, 681-690
7244042	CIF	C12 H5 N7 O8	P 1 21/n 1	6.5565; 17.6948; 12.4912 90; 102.335; 90	1415.72	Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S. Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components CrystEngComm, 2022, 24, 235-250
7244043	CIF	C24 H4 N20 O22	P -1	12.0783; 12.3615; 12.6822 107.053; 95.261; 112.021	1634.2	Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S. Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components CrystEngComm, 2022, 24, 235-250
7244044	CIF	C12 H4 N8 O10	P 1 21/c 1	7.1886; 17.2834; 12.4782 90; 94.337; 90	1545.9	Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S. Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components CrystEngComm, 2022, 24, 235-250
7244045	CIF	C18 H13 N3	C 1 2/c 1	10.9525; 12.9657; 20.7069 90; 103.542; 90	2858.77	Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings Green Chemistry, 2022, 24, 837-845
7244046	CIF	C19 H15 Br N2 O2	P -1	8.5331; 9.1322; 11.9513 77.749; 79.907; 65.413	823.62	Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings Green Chemistry, 2022, 24, 837-845
7244047	CIF	C19 H15 N3 O	P -1	7.5372; 7.833; 13.1572 81.704; 86.697; 83.076	762.41	Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings Green Chemistry, 2022, 24, 837-845
7244048	CIF	C12 H14 O3	P 1 21/c 1	17.7291; 7.5614; 8.1518 90; 102.867; 90	1065.36	Hu, Deqing; Jiang, Xuefeng Stepwise benzylic oxygenation via uranyl-photocatalysis Green Chemistry, 2022, 24, 124-129
7244049	CIF	C48 H37 F6 Ir N11 O P	P 1 21/n 1	15.6191; 17.9773; 15.7336 90; 97.817; 90	4376.77	Otaif, Haleema Y.; Adams, Samuel J.; Horton, Peter N.; Coles, Simon J.; Beames, Joseph M.; Pope, Simon J. A. Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies RSC Advances, 2021, 11, 39718-39727
7244050	CIF	C50.5 H41 Cl F6 Ir N10 P	I 1 2/a 1	20.0555; 17.4269; 29.5696 90; 108.009; 90	9828.4	Otaif, Haleema Y.; Adams, Samuel J.; Horton, Peter N.; Coles, Simon J.; Beames, Joseph M.; Pope, Simon J. A. Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies RSC Advances, 2021, 11, 39718-39727
7244051	CIF	C6 H4 Cl N O3 Pb	P b c n	13.0104; 7.1278; 17.3503 90; 90; 90	1608.99	Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055
7244052	CIF	C6 H4 I N O3 Pb	P b c n	13.7536; 6.8778; 17.8671 90; 90; 90	1690.13	Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055
7244053	CIF	C6 H4 Br N O3 Pb	P b c n	13.2594; 7.0293; 17.5526 90; 90; 90	1635.98	Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055
7244054	CIF	C30 H40 N3 O4 P	P 21 21 21	5.46724; 21.5006; 23.19943 90; 90; 90	2727.07	Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Surowiec, Kazimierz; Unruh, Daniel; Li, Guigen Asymmetric [4 + 2] cycloaddition synthesis of 4H-chromene derivatives facilitated by group-assisted-purification (GAP) chemistry RSC Advances, 2021, 11, 39790-39796
7244055	CIF	C30 H50 Cl2 Eu2 N2 O20	P 3 2 1	19.4078; 19.4078; 23.1536 90; 90; 120	7552.69	Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption CrystEngComm, 2022, 24, 1156-1160
7244056	CIF	C25 H30 N6 O8 S4	P 1 c 1	8.409; 16.64; 11.274 90; 101.37; 90	1546.6	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244057	CIF	C28 H34 N8 O4 S4	P 1 21/n 1	8.523; 21.073; 9.087 90; 96.54; 90	1621.5	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244058	CIF	C26 H32 N6 O5 S4	P 1 21/n 1	8.783; 14.728; 23.8 90; 98.46; 90	3045.2	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244059	CIF	C13 H15 N3 O4 S2	P 1 21/c 1	8.636; 19.187; 9.354 90; 91.03; 90	1549.7	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244060	CIF	C24 H28 N6 O8 S4	P 1 21/c 1	8.416; 17.394; 10.342 90; 104.7; 90	1464.4	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244061	CIF	C24 H26 N8 O4 S4	P 1 21/c 1	8.154; 17.399; 10.077 90; 101.32; 90	1401.8	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244062	CIF	C21 H31 N5 O4 S2	P 1 21/n 1	11.448; 14.224; 15.323 90; 111.6; 90	2319.9	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244063	CIF	C26 H30 N8 O4 S4	P 1 21/n 1	8.01; 20.82; 8.99 90; 94.65; 90	1494.3	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244064	CIF	C15 H19 N3 O3 S2	P 1 21/n 1	6.487; 12.332; 22.259 90; 94.19; 90	1775.9	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244065	CIF	C13 H16 N4 O2 S2	P 1 21/n 1	8.2478; 21.0191; 9.0739 90; 96.534; 90	1562.85	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244066	CIF	C23 H28 N8 O5 S4	P -1	8.051; 11.492; 15.552 77.45; 88.64; 88.64	1403.9	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244067	CIF	C13 H15 N3 O4 S2	P 1 21/n 1	8.606; 21.643; 8.735 90; 98.76; 90	1608	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244068	CIF	C13 H17 N3 O4 S3	P 1 21/n 1	6.036; 21.02; 12.791 90; 94.44; 90	1618	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244069	CIF	C16 H21 N3 O3 S2	P 1 21/n 1	6.613; 12.074; 22.085 90; 93.44; 90	1760.2	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244070	CIF	C27 H32 N8 O4 S4	P 1 21/n 1	8.363; 21.146; 9.116 90; 95.76; 90	1604	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244071	CIF	C14 H17 N5 O3 S2	P 1 21/n 1	8.3551; 18.88; 10.7764 90; 96.79; 90	1688	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244072	CIF	C24 H30 N8 O5 S4	P 1 21/n 1	16.533; 9.996; 19.81 90; 112.26; 90	3029.9	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244073	CIF	C14 H18 N4 O2 S2	P 1 21/n 1	8.4758; 20.7179; 9.6108 90; 97.84; 90	1671.89	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244074	CIF	C14 H15 N3 O4 S2	P 1 21/n 1	8.194; 21.111; 9.57 90; 94.2; 90	1651	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244075	CIF	C14 H17 N3 O4 S2	P 1 21/n 1	8.417; 20.975; 9.472 90; 93.83; 90	1668.5	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244076	CIF	C30 H38 N8 O4 S4	P 1 21/n 1	8.6785; 19.911; 10.0217 90; 97.776; 90	1715.8	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244077	CIF	C27 H37 N7 O5 S4	C 1 c 1	16.616; 16.088; 12.63 90; 110.69; 90	3158.5	Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies CrystEngComm, 2022, 24, 609-619
7244078	CIF	B9 Cd3 H3 K Na5 O38 P6	P 63/m	12.071; 12.071; 12.118 90; 90; 120	1529.1	Feng, Yuquan; Lv, Linxia; Bi, Dongqin; Zhong, Zhiguo; Li, Jing; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan; Meng, Zhaohui Efficient degradation of reactive brilliant red on the first open-framework borate-rich cadmium borophosphate CrystEngComm, 2022, 24, 479-483
7244079	CIF	C28 H30	P -1	9.427; 11.348; 11.761 112.635; 97.722; 106.198	1072.9	Han, Bo; Zhang, Miaomiao; Jiao, Hongmei; Ma, Haojie; Wang, Jijiang; Zhang, Yuqi Ligand-enabled and magnesium-activated hydrogenation with earth-abundant cobalt catalysts RSC Advances, 2021, 11, 39934-39939
7244080	CIF	C16 H11 Cl2 N O5	P n a 21	22.9722; 13.0888; 5.093 90; 90; 90	1531.36	Manojkumar, Palnati; Harilal,; Mahipal, Varukolu; Suresh, Gangadhari; Venkatesh, Nampally; Ramesh, Macha; Parthasarathy, Tigulla Exploring the charge transfer dynamics of hydrogen bonded crystals of 2-methyl-8-quinolinol and chloranilic acid: synthesis, spectrophotometric, single-crystal, DFT/PCM analysis, antimicrobial, and DNA binding studies RSC Advances, 2021, 11, 39994-40010
7244081	CIF	C50 H42 Cl4 Cu2 N10 O20 S2	P -1	10.7361; 12.0568; 12.4567 66.295; 81.685; 82.104	1455.27	Zeng, Zhenfang; Cai, Jiehui; Li, Fuyan; Weng, Yanying; Huang, Qiuping; Yang, Honglan; Huang, Qiuchan; Wei, Youhuan Synthesis, crystal structures, DNA interactions, and antitumor activity of two new dinuclear copper(ii) complexes with thiazole ligand RSC Advances, 2021, 11, 40040-40050
7244082	CIF	C50 H46 Cu2 N10 O20 S2	C 1 2/c 1	18.402; 16.2054; 18.6394 90; 97.992; 90	5504.5	Zeng, Zhenfang; Cai, Jiehui; Li, Fuyan; Weng, Yanying; Huang, Qiuping; Yang, Honglan; Huang, Qiuchan; Wei, Youhuan Synthesis, crystal structures, DNA interactions, and antitumor activity of two new dinuclear copper(ii) complexes with thiazole ligand RSC Advances, 2021, 11, 40040-40050
7244083	CIF	Ba4 Mn2.9 O12 Sn1.1	R -3 m :H	5.72904; 5.72904; 28.1637 90; 90; 120	800.542	Wu, Junkun; Yan, Xiaohui; Guo, Wenbin; Wang, Xiaoming; Yin, Congling; Kuang, Xiaojun Molecule-like cluster magnetism and cationic order in the new hexagonal perovskite Ba4Sn1.1Mn2.9O12 RSC Advances, 2021, 11, 40235-40242
7244084	CIF	C66 H56 N4 O8 S2	P 1 21 1	9.7583; 21.2841; 13.5807 90; 92.287; 90	2818.42	Gao, Zhenzhen; Xie, Lei; Ji, Lusha; Ma, Xin; Li, Xiaojing; Liu, Honglei; Guo, Hongchao Phosphine-catalyzed [3 + 2] annulation of β-sulfonamido-substituted enones with trans-α-cyano-α,β-unsaturated ketones for the synthesis of highly substituted pyrrolidines RSC Advances, 2021, 11, 40136-40139
7244085	CIF	C18 H14 O2 S2	C 1 2/c 1	13.921; 16.888; 7.6224 90; 120; 90	1551.9	Zhang, Xiunan; Wang, Jingkang; Yu, Fei; Cheng, Xiaowei; Hao, Yunhui; Liu, Yue; Huang, Xin; Wang, Ting; Hao, Hongxun Influence of additives on the polymorphic manipulation of organic fluorescent crystals and its mechanism CrystEngComm, 2022, 24, 854-862
7244086	CIF	C9 H4 I N O3	P 1 21/c 1	4.0639; 23.333; 10.0221 90; 93.341; 90	948.71	Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones CrystEngComm, 2022
7244087	CIF	C9 H4 F I O	I -4	19.4398; 19.4398; 5.0577 90; 90; 90	1911.33	Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones CrystEngComm, 2022
7244088	CIF	C9 H5 I O	P 1 21/c 1	10.0763; 11.2448; 7.2619 90; 91.013; 90	822.69	Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones CrystEngComm, 2022
7244089	CIF	C10 H4 I N O	P -1	5.6138; 7.8625; 11.1133 104.33; 96.117; 94.399	469.84	Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones CrystEngComm, 2022
7244090	CIF	C9 H4 I N O3	P -1	6.8676; 11.0423; 13.0715 82.581; 74.932; 77.837	932.79	Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones CrystEngComm, 2022
7244091	CIF	C10 H4 I N O	P 1 21/c 1	4.06532; 24.0246; 9.7176 90; 96.002; 90	943.89	Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones CrystEngComm, 2022
7244092	CIF	C14 H11 N O3	P 21 21 21	8.9979; 9.4469; 14.0932 90; 90; 90	1198	Wang, Kai-Kai; Li, Yan-Li; Zhao, Ying-Chao; Zhang, Shan-Shan; Chen, Rongxiang; Sun, Aili Facile synthesis of O-acylhydroxamates via reaction of oxime chlorides with carboxylic acids RSC Advances, 2021, 11, 40193-40196
7244093	CIF	C20 H18 N2 O5	P 1 21/n 1	20.945; 8.7506; 21.976 90; 116.49; 90	3604.9	Cossío, Fernando P; de Cózar, Abel; Sierra, Miguel A.; Casarrubios, Luis; Muntaner, Jaime G.; Banik, Bimal K.; Bandyopadhyay, Debasish Role of imine isomerization in the stereocontrol of the Staudinger reaction between ketenes and imines. RSC advances, 2021, 12, 104-117
7244094	CIF	C20 H18 N2 O5	P 1 21/c 1	10.9199; 20.1342; 8.5465 90; 107.303; 90	1794	Cossío, Fernando P; de Cózar, Abel; Sierra, Miguel A.; Casarrubios, Luis; Muntaner, Jaime G.; Banik, Bimal K.; Bandyopadhyay, Debasish Role of imine isomerization in the stereocontrol of the Staudinger reaction between ketenes and imines. RSC advances, 2021, 12, 104-117
7244095	CIF	C102 H118 Co8 N2 O44 S8	P -1	12.638; 13.524; 21.208 84.09; 84.24; 64.85	3257.3	Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study CrystEngComm, 2022, 24, 628-638
7244096	CIF	C130 H194 N14 O48 S8 Zn6	P b c n	31.887; 23.216; 23.261 90; 90; 90	17220	Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study CrystEngComm, 2022, 24, 628-638
7244097	CIF	C108 H138 N4 Ni9 O50 S8	P 42 21 2	22.981; 22.981; 13.534 90; 90; 90	7148	Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study CrystEngComm, 2022, 24, 628-638
7244098	CIF	C120 H162 Co9 N8 O54 S8	P 42 21 2	22.99439; 22.99439; 13.59342 90; 90; 90	7187.41	Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study CrystEngComm, 2022, 24, 628-638
7244099	CIF	C45 H49 Eu3 N12 O24 S4	C 2 2 21	14.717; 14.3696; 23.7326 90; 90; 90	5018.9	He, Qi-Qi; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Liu, Sui-Jun; Chen, Jing-Lin; Li, Na; Wen, He-Rui A multi-responsive luminescent sensor based on a stable Eu(iii) metal–organic framework for sensing Fe3+, MnO4−, and Cr2O72− in aqueous solutions CrystEngComm, 2022, 24, 1041-1048
7244100	CIF	C18 H16 F3 N3 O3 S3	P -1	10.4325; 11.403; 18.4984 107.755; 96.663; 92.537	2074.24	Dubey, Gurudutt; Mahawar, Nutan; Singh, Tejender; Saha, Nirjhar; Sahoo, Subash C.; Bharatam, Prasad V. Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N<sup>+</sup> center. Physical chemistry chemical physics : PCCP, 2022, 24, 629-633
7244101	CIF	C13 H14 N2 O2 S	P -1	7.6003; 9.7756; 9.7883 96.092; 103.963; 111.34	642.06	Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201
7244102	CIF	C15 H15 N2 O2 S	P -1	9.1303; 9.5438; 18.2326 86.92; 78.265; 66.827	1429.43	Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201
7244103	CIF	C27 H22 N4 O2	P -1	9.1477; 10.3739; 25.486 89.281; 79.975; 67.01	2188.4	Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201
7244104	CIF	C25 H20 N4 O5	C 1 2/c 1	13.5492; 7.4023; 21.4841 90; 100.382; 90	2119.5	Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201
7244105	CIF	C25 H18 N4 O2	P 1 21/n 1	7.7678; 5.8296; 42.625 90; 91.468; 90	1929.56	Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201
7244106	CIF	C20 H21 B Cl N3 O2	C 1 c 1	13.0381; 20.5925; 7.15692 90; 91.598; 90	1920.79	Zheng, Huitao; Xiong, Honggang; Su, Chaobo; Cao, Hua; Yao, Huagang; Liu, Xiang Photoinduced successive oxidative ring-opening and borylation of indolizines with NHC-boranes. RSC advances, 2021, 12, 470-474
7244107	CIF	C34 H24 B N S3	P 1	10.1902; 10.2138; 28.5888 88.437; 86.185; 69.035	2772.38	Wang, Rui; Song, Kai; Wei, Caiyun; Hong, Wenjing; Zang, Yaping; Qu, Dahui; Li, Hongxiang Substitution pattern controlled charge transport in BN-embedded aromatics-based single molecule junctions. Physical chemistry chemical physics : PCCP, 2022, 24, 2227-2233
7244108	CIF	C27 H22 N2 O6	P -1	9.838; 10.401; 12.2553 102.291; 100.426; 103.17	1157.8	Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N. Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products. RSC advances, 2021, 12, 578-587
7244109	CIF	C30 H21 N3 O5	P -1	11.4672; 14.0604; 15.6426 99.666; 96.992; 94.581	2454.8	Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N. Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products. RSC advances, 2021, 12, 578-587
7244110	CIF	C31 H28 N2 O8	P -1	11.1868; 11.4255; 12.2739 95.263; 107.966; 103.507	1428.1	Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N. Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products. RSC advances, 2021, 12, 578-587
7244111	CIF	C30 H21 N3 O5	P 1 21/n 1	8.7697; 19.206; 14.48 90; 94.7; 90	2430.7	Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N. Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products. RSC advances, 2021, 12, 578-587
7244112	CIF	C82 H96 Cl4 Co N10 O24 Zr6	P -1	11.3034; 12.7188; 21.9772 82.236; 76.045; 75.545	2959.8	Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand CrystEngComm, 2022, 24, 475-478
7244113	CIF	C82 H98 Cl4 N10 Ni O24 Zr6	P -1	11.3213; 12.545; 21.9866 82.573; 76.173; 75.347	2925.7	Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand CrystEngComm, 2022, 24, 475-478
7244114	CIF	C17 H23 O7	P 21 21 2	10.5089; 24.083; 6.4952 90; 90; 90	1643.84	Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation CrystEngComm, 2022, 24, 1056-1067
7244115	CIF	C22 H21 N3 O5	P -1	8.6661; 11.0426; 12.2572 108.672; 102.099; 108.033	992.66	Kausar, Naghmana; Murtaza, Shahzad; Arshad, Muhammad Nadeem; Zaib Saleem, Rahman Shah; Asiri, Abdullah M.; Kausar, Samia; Altaf, Ataf Ali; Tatheer, Adina; Elnaggar, Ashraf Y.; El-Bahy, Salah M Design, synthesis, crystal structure, <i>in vitro</i> cytotoxicity evaluation, density functional theory calculations and docking studies of 2-(benzamido) benzohydrazide derivatives as potent AChE and BChE inhibitors. RSC advances, 2021, 12, 154-167
7244116	CIF	C18 H17 N O3 S	P 1 21/n 1	8.8132; 18.052; 10.3523 90; 102.448; 90	1608.3	Choi, Seoung-Mi; Kim, Kyeong Do; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun Pd-catalyzed [3 + 2] cycloaddition of cyclic ketimines and trimethylenemethanes toward <i>N</i>-fused pyrrolidines bearing a quaternary carbon. RSC advances, 2021, 12, 785-789
7244117	CIF	C22 H20 Cd N4 O5	P n n a	24.4715; 8.9399; 9.9133 90; 90; 90	2168.76	Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water CrystEngComm, 2022, 24, 169-181
7244118	CIF	C22 H20 Cd N4 O5	P -1	8.7652; 10.148; 12.958 73.895; 77.424; 75.347	1057.8	Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water CrystEngComm, 2022, 24, 169-181
7244119	CIF	C22 H18 Cd N4 O4	P -1	9.907; 10.86; 11.41 114.119; 107.767; 97.924	1017.1	Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water CrystEngComm, 2022, 24, 169-181
7244120	CIF	C44 H40 N8 O10 Zn2	P 1 21/n 1	7.9711; 38.293; 13.9006 90; 96.469; 90	4216	Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water CrystEngComm, 2022, 24, 169-181
7244121	CIF	C7 H6 In N O8 P	P -1	6.6218; 9.3168; 9.4721 114.317; 95.498; 105.293	499.59	Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction CrystEngComm, 2022
7244122	CIF	C5 H10 Fe N2 O10 P2	P 1 21/c 1	9.1586; 10.0083; 12.7498 90; 94.467; 90	1165.12	Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction CrystEngComm, 2022
7244123	CIF	C24 H12 Cu2 Mo12 N12 O44 P	P -1	11.26; 11.656; 12.787 79.302; 84.606; 68.048	1529	Li, Meng-Ting; Sun, Jing-Wen; Yi-Fei-Liu,; Niu, Mei-Hui; Zou, Han-Yu; Sun, Da-Qiang; Yu, Yang POM-based metal organic frameworks with a woven fabric structure for lithium storage CrystEngComm, 2022, 24, 1279-1284
7244124	CIF	C58 H102 Cd2 Cl8 N34 O34	P 1 21/c 1	14.1506; 14.5033; 22.5841 90; 90.46; 90	4634.8	Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril CrystEngComm, 2022, 24, 1035-1040
7244125	CIF	C60 H105 Cd2 Cl8 N34 O34	P 1 21/c 1	14.075; 14.636; 22.677 90; 90.564; 90	4671	Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril CrystEngComm, 2022, 24, 1035-1040
7244126	CIF	C53 H81 Cd Cl4 N33 O28 S	P -1	17.535; 17.696; 18.62 69.886; 78.459; 66.732	4970	Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril CrystEngComm, 2022, 24, 1035-1040
7244127	CIF	C24 H40 Cu2 Mo12 N12 O50.5 P	P -1	10.9002; 11.5504; 14.7377 89.771; 86.393; 81.188	1829.94	Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules CrystEngComm, 2022, 24, 828-836
7244128	CIF	C24 H30 Cu2 Mo12 N12 O47 Si	P 1 21/c 1	16.046; 20.6074; 18.8644 90; 96.972; 90	6191.7	Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules CrystEngComm, 2022, 24, 828-836
7244129	CIF	C28 H41 Co2 N12 O49.5 Si W12	C 1 2/m 1	15.8588; 21.3036; 10.4152 90; 98.134; 90	3483.4	Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules CrystEngComm, 2022, 24, 828-836
7244130	CIF	C28 H48 Cu2 N12 O52 Si W12	P 1 21/n 1	10.1453; 17.138; 19.2588 90; 96.218; 90	3328.8	Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules CrystEngComm, 2022, 24, 828-836
7244131	CIF	C20 H36 Mo6 N8 Ni2 O30 Te	P 1 21/c 1	14.0968; 10.5774; 15.0772 90; 109.13; 90	2123.98	Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties CrystEngComm, 2022
7244132	CIF	C20 H36 Mo6 N8 O30 Te Zn2	P 1 21/c 1	14.0938; 10.6509; 15.1734 90; 109.21; 90	2150.9	Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties CrystEngComm, 2022
7244133	CIF	C20 H30 Co Mo8 N8 O28	P 1 21/c 1	12.5062; 16.3162; 12.9106 90; 94.116; 90	2627.7	Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties CrystEngComm, 2022
7244134	CIF	C10 H12 Cu Mo4 N4 O13	P -1	7.388; 10.9847; 12.672 84.161; 80.99; 73.956	974.29	Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties CrystEngComm, 2022
7244135	CIF	C60 H74 Cu6 N30 O88 P2 W24	P -1	12.4291; 12.762; 25.4693 78.479; 89.827; 76.701	3848.5	Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties CrystEngComm, 2022
7244136	CIF	C17 H16 Cd Cl2 N4 O4	P 1 21/c 1	10.8022; 14.266; 14.671 90; 101.96; 90	2211.8	Nguyen, Anh Van; Vu, Anh Thi Ngoc; Bazan, Liya V.; Galeev, Ravil T.; Utenyshev, Andrey N.; Markova, Ekaterina B.; Le, Van Thuan; Kovalchukova, Olga V. Synthesis, characterization, and sorption activity of novel azo-colorants derived from phloroglucinol and antipyrine and their metal complexes. RSC advances, 2021, 12, 888-898
7244137	CIF	C10 H16 N3 O9 Y	P 1 21/c 1	12.47; 10.334; 13.219 90; 111.93; 90	1580.2	Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity CrystEngComm, 2022, 24, 846-853
7244138	CIF	C9 H8 O7 Y	P -1	7.19; 7.578; 9.979 71.83; 83.47; 84.8	512.4	Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity CrystEngComm, 2022, 24, 846-853
7244139	CIF	C12 H13 N O7 Y	P -1	7.635; 10.112; 11.216 115.76; 105.96; 95.18	727.5	Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity CrystEngComm, 2022, 24, 846-853
7244140	CIF	C15 H24 N2 O10 Y	P -1	9.621; 9.918; 11.149 77.87; 80.29; 79.96	1014.5	Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity CrystEngComm, 2022, 24, 846-853
7244141	CIF	C18 H29 N2 O18.5 Y2	P -1	8.52; 10.069; 16.751 81.28; 79.95; 79.63	1381.1	Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity CrystEngComm, 2022, 24, 846-853
7244142	CIF	C34 H58 N6 O26 Y4	P -1	9.573; 14.857; 19.601 99.49; 95.46; 101.53	2670.4	Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity CrystEngComm, 2022, 24, 846-853
7244143	CIF	C20 H20 Cd2 N2 O15	I 1 2/a 1	13.7701; 11.51; 29.1745 90; 90.088; 90	4624	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244144	CIF	C20 H12 Cd3 N2 O12	P -1	8.0862; 8.1863; 8.4893 72.651; 81.681; 65.767	488.97	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244145	CIF	C20 H30 Cd3 N2 O21	P 1 21 1	9.0126; 18.6624; 9.1644 90; 103.467; 90	1499.04	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244146	CIF	C10 H11 N O8 Zn	P 1 21 1	4.8959; 10.063; 11.3009 90; 95.584; 90	554.12	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244147	CIF	C10 H11 Co N O8	P 1 21 1	4.8412; 10.1675; 11.332 90; 95.158; 90	555.54	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244148	CIF	C10 H9.4 Cu N O7.2	P 1 21 1	4.9056; 9.7392; 11.4649 90; 97.117; 90	543.53	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244149	CIF	C10 H17 N O12 Zn2	P 1 21/n 1	7.4213; 19.3205; 10.8081 90; 96.871; 90	1538.57	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244150	CIF	C51.25 H105.75 Cd6 N7.75 O55.5	P 1 21 1	14.1081; 14.3068; 23.1617 90; 90.945; 90	4674.36	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244151	CIF	C10 H11 Cd N O8	P -1	7.2467; 8.5509; 10.9978 101.892; 95.728; 114.776	592.04	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244152	CIF	C20 H28 Cd3 N2 O20	P -1	7.7777; 8.9715; 11.4851 67.353; 75.848; 70.505	690.98	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876
7244153	CIF	C28 H46 O6 Rh2 S2	C 1 c 1	11.9314; 26.0057; 10.2556 90; 101.605; 90	3117.1	Kajiwara, Yuu; Nakai, Hidetaka Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties CrystEngComm, 2022
7244154	CIF	C28 H46 O6 Rh2 S2	C 1 c 1	11.9641; 26.0973; 10.2505 90; 101.699; 90	3134	Kajiwara, Yuu; Nakai, Hidetaka Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties CrystEngComm, 2022
7244155	CIF	C28 H46 O6 Rh2 S2	C 1 c 1	11.9564; 26.0615; 10.2663 90; 101.52; 90	3134.6	Kajiwara, Yuu; Nakai, Hidetaka Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties CrystEngComm, 2022
7244156	CIF	C28 H46 O6 Rh2 S2	C 1 c 1	12.0314; 26.2812; 10.1334 90; 102.376; 90	3129.7	Kajiwara, Yuu; Nakai, Hidetaka Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties CrystEngComm, 2022
7244157	CIF	C28 H46 O6 Rh2 S2	C 1 c 1	11.9956; 26.2113; 10.1788 90; 102.258; 90	3127.5	Kajiwara, Yuu; Nakai, Hidetaka Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties CrystEngComm, 2022
7244158	CIF	C28 H46 O6 Rh2 S2	C 1 c 1	12.0065; 26.2353; 10.1974 90; 102.144; 90	3140.2	Kajiwara, Yuu; Nakai, Hidetaka Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties CrystEngComm, 2022
7244159	CIF	C28 H46 O6 Rh2 S2	C 1 c 1	12.017; 26.3115; 10.1716 90; 102.509; 90	3139.8	Kajiwara, Yuu; Nakai, Hidetaka Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties CrystEngComm, 2022
7244160	CIF	C15 H12 Br N3 O2 S	P 21 21 21	4.8673; 11.348; 27.751 90; 90; 90	1532.8	Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles Green Chemistry, 2022, 24, 911-915
7244161	CIF	C11 H14 N4 O3 S	P 21 21 21	5.3437; 14.4207; 16.6141 90; 90; 90	1280.3	Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles Green Chemistry, 2022, 24, 911-915
7244162	CIF	C13 H12 N2 O S	C 1 2/c 1	21.701; 6.1737; 20.5621 90; 120.251; 90	2379.68	Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T. Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives CrystEngComm, 2022, 24, 962-974
7244163	CIF	C9 H13 N O3	P 1 21 1	13.0612; 5.4197; 13.8643 90; 102.611; 90	957.75	Gong, Yaxiang; Wei, Yuanfeng; Gao, Yuan; Pang, Zunting; Zhang, Jianjun; Qian, Shuai The bending behavior of an L-phenylalanine monohydrate soft crystal <i>via</i> reversible hydrogen bond rupture and remodeling. Physical chemistry chemical physics : PCCP, 2022, 24, 3216-3221
7244164	CIF	C26 H22 N2	P -1	6.1471; 17.7972; 20.5612 76.086; 81.665; 86.606	2159.66	Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964
7244165	CIF	C26 H22 N2 O	P 43 21 2	10.1318; 10.1318; 39.042 90; 90; 90	4007.8	Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964
7244166	CIF	C26 H22 N2	P -1	9.1427; 10.2655; 11.2401 76.016; 84.388; 76.867	995.87	Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964
7244167	CIF	C64 H64 Fe2 Mo12 N8 Na2 O71 P8	P -1	11.853; 14.016; 16.932 105.883; 99.311; 92.164	2659.9	Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids CrystEngComm, 2022, 24, 1002-1009
7244168	CIF	C64 H52 Mn2 Mo12 N8 Na4 O70 P8	P -1	11.8092; 14.143; 17.0587 106.843; 100; 91.8117	2675.3	Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids CrystEngComm, 2022, 24, 1002-1009
7244169	CIF	C64 H62 Co2 Mo12 N8 Na2 O70 P8	P -1	11.856; 14.0079; 16.8886 105.922; 99.3799; 92.0586	2651.5	Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids CrystEngComm, 2022, 24, 1002-1009
7244170	CIF	C64 H60 K2 Mo12 N8 Na2 O69 P8 Zn	P -1	12.079; 13.62; 17.023 75.738; 80.286; 89.388	2673.9	Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids CrystEngComm, 2022, 24, 1002-1009
7244171	CIF	C18 H88 As2 Cd4 Cl2 N12 O76 W18	P -1	12.5169; 12.5282; 15.952 99.623; 98.647; 112.828	2208.5	Hua, Jiai; Wei, Xueman; Ma, Xiang; Jiao, Jinzhe; Chai, Binghui; Wu, Chenbin; Zhang, Changli; Niu, Yulan A {Cd4Cl2O14} cluster functionalized sandwich-type tungsto-arsenate as conformation modulator for misfolding Aβ peptide CrystEngComm, 2022
7244172	CIF	C42 H30 N12 O14 Zn3	C 1 2/c 1	10.086; 30.644; 17.347 90; 90.27; 90	5361.5	Liu, Han-Fu; Tao, Ye; Qin, Xiao-Huan; Chen, Chao; Huang, Fu-Ping; Zhang, Xiu-Qing; Bian, He-Dong Three-fold Interpenetrated Metal–Organic Framework as a Multifunctional Fluorescent Probe for Detecting 2,4,6-Trinitrophenol, Levofloxacin, and L-Cystine CrystEngComm, 2022
7244173	CIF	C35 H47 N5 O36 Pr3	C 1 2/c 1	22.3971; 13.9013; 17.865 90; 114.487; 90	5062	Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY CrystEngComm, 2022
7244174	CIF	C13 H9 N3 O3 S	P 1 21/c 1	25.451; 14.4966; 7.1113 90; 95.795; 90	2610.3	Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY CrystEngComm, 2022
7244175	CIF	C26 H30 F6 N4 O6	C 1 2/c 1	14.4786; 11.6381; 34.8047 90; 90.017; 90	5864.7	Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001
7244176	CIF	C7 H2 Cl F2 N2	P 1 21/c 1	7.6581; 7.3941; 13.4241 90; 98.09; 90	752.57	Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001
7244177	CIF	C7 H2 Cl F3 N2	C 1 2/m 1	9.7777; 7.7816; 10.246 90; 99.955; 90	767.8	Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001
7244178	CIF	C7 H3 F3 N2	P 1 21/c 1	7.5702; 5.8303; 15.8912 90; 96.846; 90	696.38	Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001
7244179	CIF	C26 H30 F6 N4 O6	C 1 2/c 1	14.459; 11.6131; 34.7535 90; 90.333; 90	5835.5	Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001
7244180	CIF	C7 H3 F3 N2	P 1 21 1	3.736; 8.4997; 10.654 90; 96.061; 90	336.43	Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001
7244181	CIF	C26 H30 Cl2 F4 N4 O6	P -1	9.276; 9.884; 10.2679 111.106; 98.506; 116.108	734	Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001
7244182	CIF	C26 H28 Cl2 F6 N4 O6	P -1	9.4276; 9.9092; 10.3213 111.749; 97.219; 116.798	747.91	Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001
7244183	CIF	C16 H22 N4 O8	P 1 21/c 1	7.0616; 12.96; 10.6639 90; 94.752; 90	972.59	Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I. Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions CrystEngComm, 2022, 24, 1017-1034
7244184	CIF	C14 H20 N2 O8 S2	P 1 21/c 1	7.6501; 11.8612; 10.4802 90; 98.09; 90	941.5	Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I. Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions CrystEngComm, 2022, 24, 1017-1034
7244185	CIF	C32 H40 N6 O24	P -1	9.547; 10.2921; 11.4084 70.436; 66.208; 86.296	963.26	Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I. Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions CrystEngComm, 2022, 24, 1017-1034
7244186	CIF	C14 H22 N4 O6	P 1 21/n 1	5.9712; 7.004; 20.4618 90; 98.336; 90	846.72	Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I. Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions CrystEngComm, 2022, 24, 1017-1034
7244187	CIF	C3 H14 B6 N2 O11	P 1 21/c 1	8.5687; 15.4864; 9.023 90; 94.159; 90	1194.18	Chen, Chong-An; Yang, Guo-Yu Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates CrystEngComm, 2022
7244188	CIF	B21 Ca3 H6 Li3 O39	P 32 2 1	8.7306; 8.7306; 12.5809 90; 90; 120	830.48	Chen, Chong-An; Yang, Guo-Yu Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates CrystEngComm, 2022
7244189	CIF	C24 H56 Br18 N8 Pb5	I 4/m c m	14.3707; 14.3707; 36.5666 90; 90; 90	7551.6	Jung, Mi-Hee The dual band and white-light emission from piperazine halide perovskites CrystEngComm, 2022, 24, 1413-1423
7244190	CIF	C6 H14 Cl6 N2 Sn2	P b c n	19.2189; 13.7924; 11.7827 90; 90; 90	3123.3	Jung, Mi-Hee The dual band and white-light emission from piperazine halide perovskites CrystEngComm, 2022, 24, 1413-1423
7244191	CIF	C16 H12 F N O3	P -1	6.7305; 8.917; 11.7682 82.956; 78.846; 88.804	687.7	Mehreen, Saba; Ullah, Aman; Nadeem, Humaira; Dege, Necmi; Naseer, Muhammad Moazzam Synthesis, solid state self-assembly driven by antiparallel π⋯π stacking and {⋯H–C–C–F}2 dimer synthons, and in vitro acetyl cholinesterase inhibition activity of phenoxy pendant isatins RSC Advances, 2022, 12, 1788-1796
7244192	CIF	C112 H134 N6 O20	P -1	12.0845; 13.1004; 18.589 85.241; 73.425; 77.684	2754.9	Al-Azemi, Talal F.; Vinodh, Mickey External-stimulus-triggered conformational inversion of mechanically self-locked pseudo[1]catenane and gemini-catenanes based on A1/A2-alkyne–azide-difunctionalized pillar[5]arenes RSC Advances, 2022, 12, 1797-1806
7244193	CIF	C118 H148 N8 O22	P -1	10.7868; 15.821; 16.455 93.587; 92.917; 90.911	2798.5	Al-Azemi, Talal F.; Vinodh, Mickey External-stimulus-triggered conformational inversion of mechanically self-locked pseudo[1]catenane and gemini-catenanes based on A1/A2-alkyne–azide-difunctionalized pillar[5]arenes RSC Advances, 2022, 12, 1797-1806
7244194	CIF	C10 H24 Cl4 N4 Pd2	P -1	8.575; 9.082; 12.93 76.03; 83.16; 69.5	914.64	Ragab, Mona S.; Shehata, Mohamed R.; Shoukry, Mohamed M.; Haukka, Matti; Ragheb, Mohamed A. Oxidative DNA cleavage mediated by a new unexpected [Pd(BAPP)][PdCl4] complex (BAPP = 1,4-bis(3-aminopropyl)piperazine): crystal structure, DNA binding and cytotoxic behavior RSC Advances, 2022, 12, 1871-1884
7244195	CIF	C20 H25 N7 O4	P 1 21/n 1	11.32; 12.339; 15.403 90; 109.964; 90	2022.2	Ganai, Ab Majeed; Pathan, Tabasum Khan; Sayyad, Nisar; Kushwaha, Babita; Kushwaha, Narva Deshwar; Tzakos, Andreas G.; Karpoormath, Rajshekhar DBU mediated one-pot synthesis of triazolo triazines via Dimroth type rearrangement RSC Advances, 2022, 12, 2102-2106
7244196	CIF	C17 H14 Br N	P n a 21	8.2567; 19.7843; 8.8668 90; 90; 90	1448.42	Smile, Suresh Snoxma; Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy DMSO–allyl bromide: a mild and efficient reagent for atom economic one-pot N-allylation and bromination of 2°-aryl amines, 2-aryl aminoamides, indoles and 7-aza indoles RSC Advances, 2022, 12, 1834-1839
7244197	CIF	C23 H21 Br N2 O	P 1 21/n 1	10.519; 9.117; 20.975 90; 90.312; 90	2011.5	Smile, Suresh Snoxma; Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy DMSO–allyl bromide: a mild and efficient reagent for atom economic one-pot N-allylation and bromination of 2°-aryl amines, 2-aryl aminoamides, indoles and 7-aza indoles RSC Advances, 2022, 12, 1834-1839
7244198	CIF	C8 H17 Br N2 O8 Re2	P -1	7.6333; 8.2742; 13.236 90.191; 93.865; 109.561	785.6	Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties CrystEngComm, 2022, 24, 782-787
7244199	CIF	C8 H17 Cl N2 O8 Re2	P -1	8.8362; 12.7362; 13.7512 91.289; 94.366; 96.252	1533.15	Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties CrystEngComm, 2022, 24, 782-787
7244200	CIF	C8 H16 F N2 O8 Re2	P b c a	10.1928; 14.8794; 19.0803 90; 90; 90	2893.8	Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties CrystEngComm, 2022, 24, 782-787
7244201	CIF	C8 H17 N2 O8 Re2	P b c a	10.236; 14.7742; 19.084 90; 90; 90	2886	Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties CrystEngComm, 2022, 24, 782-787
7244202	CIF	C10 H25 N5	P -1	4.9136; 14.4136; 17.9643 92.224; 93.232; 92.069	1268.36	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244203	CIF	C12 H28 F6 N5 Ni O2 P	P 21 21 21	9.8206; 13.9643; 13.9819 90; 90; 90	1917.4	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244204	CIF	C25 H31 N3 O6 S3	P 1 21/n 1	5.1713; 27.181; 18.8959 90; 93.137; 90	2652	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244205	CIF	C10 H25 Cl4 Co2 N5	P 21 21 21	8.652; 11.9224; 18.0909 90; 90; 90	1866.1	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244206	CIF	C10 H25 Cl2 Fe N5	P 1 21/n 1	7.9184; 6.7907; 14.7266 90; 100.133; 90	779.52	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244207	CIF	C20 H50 Cl6 Co3 N10	C 1 2/c 1	14.6083; 14.3727; 16.8252 90; 103.155; 90	3439.9	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244208	CIF	C10 H28 F12 Mn N6 P2	P 65	9.1983; 9.1983; 43.795 90; 90; 120	3209	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244209	CIF	C10 H25 F12 N5 P2 Zn	I 1 2/a 1	12.6817; 25.67; 12.8729 90; 106.102; 90	4026.2	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244210	CIF	C10 H25 Cl2 Cr F6 N5 P	P -1	9.0957; 9.2333; 22.464 97.589; 93.469; 96.344	1853.2	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244211	CIF	C10 H21 Cl F6 N5 P Ru	P -1	7.7456; 10.3834; 11.001 75.896; 88.525; 85.227	855.1	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244212	CIF	C34 H40 N2 O10 S4	P 1 21/n 1	5.7301; 18.629; 16.8629 90; 91.518; 90	1799.4	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244213	CIF	C10 H28 Cl2 F6 N5 P	C 1 2/c 1	18.619; 9.6164; 11.7011 90; 110.806; 90	1958.4	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244214	CIF	C12 H31 Cu F12 N7 O4 P2	P 1 21 1	8.2222; 12.5513; 12.9958 90; 104.977; 90	1295.6	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244215	CIF	C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P	C m c e	17.9648; 19.2765; 12.8235 90; 90; 90	4440.8	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244216	CIF	C10 H27 Cl3 Cr N5 O	C 1 c 1	15.3816; 9.2277; 12.6805 90; 113.079; 90	1655.8	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244217	CIF	C10 H25 Cl2 Co N5	P b c a	14.5128; 12.7676; 32.102 90; 90; 90	5948.3	Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236
7244218	CIF	C17 H13 Cl2 Cu N7	P 21 21 21	7.09; 15.0538; 16.4613 90; 90; 90	1756.9	Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions CrystEngComm, 2022, 24, 1598-1611
7244219	CIF	C17 H13 Cl Cu N8 O3	P 21 21 21	6.9172; 15.1342; 17.174 90; 90; 90	1797.9	Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions CrystEngComm, 2022, 24, 1598-1611
7244220	CIF	C15 H10 F2 I Te2	P 1 21/n 1	13.2557; 5.3985; 23.3604 90; 103.761; 90	1623.7	Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V. Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2 CrystEngComm, 2022, 24, 1442-1452
7244221	CIF	C18 H10 F4 I2 Te2	C 1 2/c 1	6.82; 8.6628; 33.6106 90; 92.684; 90	1983.5	Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V. Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2 CrystEngComm, 2022, 24, 1442-1452
7244222	CIF	C30 H33 Cl6 N Ni P2	P 21 21 21	10.6796; 14.9649; 20.9874 90; 90; 90	3354.19	Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes RSC Advances, 2022, 12, 2227-2236
7244223	CIF	C28 H29 Br2 N Ni P2	P 21 c n	9.8001; 13.6022; 20.547 90; 90; 90	2738.98	Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes RSC Advances, 2022, 12, 2227-2236
7244224	CIF	C28 H29 I2 N Ni P2	P 1 21/c 1	15.4142; 10.0508; 18.3727 90; 92.727; 90	2843.17	Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes RSC Advances, 2022, 12, 2227-2236
7244225	CIF	C92 H78 N12 O23 S4 Zn4	P 1 21/n 1	8.892; 24.276; 11.365 90; 109.798; 90	2308.3	Zeng, Na-Na; Ren, Li; Cui, Guang-Hua Ultrasensitive fluorescence detection of norfloxacin in aqueous medium employing a 2D Zn(ii)-based coordination polymer CrystEngComm, 2022, 24, 931-935
7244226	CIF	C7 H8 Br3 N	P b c a	8.1236; 14.0468; 16.9496 90; 90; 90	1934.13	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244227	CIF	C7.5 H9 Br3 Cl N	P c c n	23.301; 11.3788; 8.8743 90; 90; 90	2352.91	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244228	CIF	C7 H8 Br3 N	P b c a	8.1294; 14.0393; 16.9502 90; 90; 90	1934.54	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244229	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3004; 11.3861; 8.8768 90; 90; 90	2355.02	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244230	CIF	C7.5 H8 Br3 Cl N	P c c n	23.3149; 11.3966; 8.87109 90; 90; 90	2357.14	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244231	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3051; 11.4337; 8.8909 90; 90; 90	2369.1	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244232	CIF	C7 H8 Br3 N	P b c a	8.16082; 14.265; 17.0946 90; 90; 90	1990.05	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244233	CIF	C7.5 H9 Br4 N	P c c n	23.6012; 11.3363; 8.94002 90; 90; 90	2391.9	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244234	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3; 11.4013; 8.881 90; 90; 90	2359.24	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244235	CIF	C7.5 H9 Br4 N	P c c n	23.715; 11.4034; 8.9608 90; 90; 90	2423.28	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244236	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3143; 11.3889; 8.873 90; 90; 90	2356	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244237	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3143; 11.3349; 8.8651 90; 90; 90	2342.74	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244238	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3008; 11.372; 8.8724 90; 90; 90	2350.98	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244239	CIF	C7.5 H9 Br3 Cl N	P c c n	23.2933; 11.4091; 8.8839 90; 90; 90	2360.95	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244240	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3005; 11.4213; 8.882 90; 90; 90	2363.7	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244241	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3401; 11.5126; 8.9207 90; 90; 90	2397.04	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244242	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3045; 11.3409; 8.8643 90; 90; 90	2342.78	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244243	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3229; 11.3803; 8.87309 90; 90; 90	2355.11	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244244	CIF	C7.5 H9 Br3 Cl N	P c c n	23.3007; 11.4142; 8.8869 90; 90; 90	2363.55	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244245	CIF	C7.5 H9 Br4 N	P c c n	23.5252; 11.2799; 8.9163 90; 90; 90	2366.05	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244246	CIF	C7.5 H9 Br3 Cl N	P c c n	23.303; 11.3934; 8.8783 90; 90; 90	2357.19	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244247	CIF	C2.05 H2.34 Br0.88 N0.29	P 1 21/n 1	14.7213; 8.5748; 23.2614 90; 94.011; 90	2929.15	Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding CrystEngComm, 2022
7244248	CIF	C48 H34 Br2 N4 O4 Zn	C 1 2/c 1	22.4223; 7.1139; 25.519 90; 101.57; 90	3987.8	Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement CrystEngComm, 2022
7244249	CIF	C48 H34 F2 N4 O4 Zn	C 1 2/c 1	22.545; 7.1602; 24.832 90; 102.401; 90	3915	Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement CrystEngComm, 2022
7244250	CIF	C42 H28 N5 O6 Zn	P 1 2/c 1	16.9814; 5.7781; 20.4176 90; 118.519; 90	1760.29	Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement CrystEngComm, 2022
7244251	CIF	C48 H34 Cl2 N4 O4 Zn	C 1 2/c 1	22.4956; 7.1451; 25.4267 90; 101.767; 90	4001	Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement CrystEngComm, 2022
7244252	CIF	C176 H158 Cl4 Eu4 O51 P8	P 1	13.7446; 18.4533; 20.1499 108.815; 107.5; 97.438	4466.2	Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters CrystEngComm, 2022
7244253	CIF	C176 H158 Cl4 Eu4 O51 P8	P 1	13.7311; 18.3631; 20.1893 108.665; 107.697; 97.375	4448.8	Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters CrystEngComm, 2022
7244254	CIF	C27 H14 F4 N2	P 1 21/c 1	7.166; 21.8984; 13.6849 90; 97.476; 90	2129.23	Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior CrystEngComm, 2022
7244255	CIF	C27 H14 F4 N2	P -1	9.8311; 10.2683; 22.2426 95.086; 100.768; 95.042	2184.59	Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior CrystEngComm, 2022
7244256	CIF	C27 H18 N2	P -1	7.6818; 9.1974; 15.4502 76.568; 78.786; 73.558	1008.58	Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior CrystEngComm, 2022
7244257	CIF	C12 H5 Cl2 N	P 1 21/n 1	7.1397; 16.0756; 8.9196 90; 104.983; 90	988.94	Yu, Xu; Tang, Baolei; Zhang, Hongyu A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile CrystEngComm, 2022, 24, 942-946
7244258	CIF	C12 H5 F2 N	P 1 21/c 1	7.1268; 8.6732; 15.297 90; 102.303; 90	923.8	Yu, Xu; Tang, Baolei; Zhang, Hongyu A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile CrystEngComm, 2022, 24, 942-946
7244259	CIF	C64 H62 Cu2 N8 O3 P2	C 1 c 1	11.7324; 20.7132; 23.3587 90; 95.466; 90	5650.72	Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra CrystEngComm, 2022
7244260	CIF	C59 H52 Cu2 I2 N6 P2	P 1 21/c 1	12.647; 17.053; 17.208 90; 131.69; 90	2771.4	Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra CrystEngComm, 2022
7244261	CIF	C43 H36 B Cu F4 N4 P2	P -1	11.5699; 12.5429; 13.6715 88.298; 73.809; 87.479	1903.16	Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra CrystEngComm, 2022
7244262	CIF	C43 H36 Cl Cu N4 O4.01 P2	P -1	11.74; 12.5965; 13.7194 88.186; 73.757; 87.479	1945.6	Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra CrystEngComm, 2022
7244263	CIF	C45 H40 Cl Cu N4 O4 P2	I 1 2/a 1	24.6439; 10.20305; 31.8756 90; 98.5114; 90	7926.62	Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra CrystEngComm, 2022
7244264	CIF	C45 H40 B Cu F4 N4 P2	I 1 2/a 1	24.62; 10.2078; 31.7453 90; 98.052; 90	7899.45	Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra CrystEngComm, 2022
7244265	CIF	C12 H32 N2 O4 S	P 1 21/n 1	8.7824; 8.8235; 22.0837 90; 95.202; 90	1704.25	Turek, Marika; Biczak, Robert; Pawłowska, Barbara; Różycka-Sokołowska, Ewa; Owsianik, Krzysztof; Marciniak, Bernard; Bałczewski, Piotr The need to change the approach to the safe use of herbicides by developing chiral and environmentally friendly formulations: a series of enantioselective (R)- and (S)-phenylethylammonium chloroacetates Green Chemistry, 2022, 24, 1693-1703
7244266	CIF	C22.5 H25 Cl N5 O0.5	P c a 21	35.1476; 7.20907; 16.4888 90; 90; 90	4177.96	Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N. Multipurpose made colorimetric materials for amines, pH change and metal ion detection RSC Advances, 2022, 12, 2684-2692
7244267	CIF	C23 H26 Cl N5 O6	F d d 2	13.6704; 17.4161; 19.5839 90; 90; 90	4662.6	Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N. Multipurpose made colorimetric materials for amines, pH change and metal ion detection RSC Advances, 2022, 12, 2684-2692
7244268	CIF	C46 H50 Cl2 Cu N10 O12	F d d d :2	13.6541; 20.9932; 33.7804 90; 90; 90	9682.9	Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N. Multipurpose made colorimetric materials for amines, pH change and metal ion detection RSC Advances, 2022, 12, 2684-2692
7244269	CIF	C23 H20 Cl F6 N5 O6	P 1 21/c 1	15.2533; 12.9873; 13.5404 90; 107.731; 90	2554.92	Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N. Multipurpose made colorimetric materials for amines, pH change and metal ion detection RSC Advances, 2022, 12, 2684-2692
7244270	CIF	C42 H42.67 Cl2 Cu N10 O8.33	P 1 21 1	17.0485; 21.1841; 17.4301 90; 94.546; 90	6275.2	Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N. Multipurpose made colorimetric materials for amines, pH change and metal ion detection RSC Advances, 2022, 12, 2684-2692
7244271	CIF	C46 H38 Cl2 Cu F12 N10 O12	C 1 2/c 1	13.17337; 21.4452; 18.6491 90; 109.148; 90	4976.99	Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N. Multipurpose made colorimetric materials for amines, pH change and metal ion detection RSC Advances, 2022, 12, 2684-2692
7244272	CIF	C42 H42.67 Cl2 N10 O8.33 Zn	P 1 21 1	17.0846; 21.1938; 17.4229 90; 94.0351; 90	6293	Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N. Multipurpose made colorimetric materials for amines, pH change and metal ion detection RSC Advances, 2022, 12, 2684-2692
7244273	CIF	C46 H38 Cl2 F12 N10 O12 Zn	C 1 c 1	13.1544; 21.5464; 18.6498 90; 109.32; 90	4988.2	Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N. Multipurpose made colorimetric materials for amines, pH change and metal ion detection RSC Advances, 2022, 12, 2684-2692
7244274	CIF	C24 H42 Br4 Co N2	C 1 2/c 1	33.179; 14.251; 15.092 90; 110.281; 90	6694	Khalfa, M.; Oueslati, A.; Khirouni, K.; Gargouri, M.; Rousseau, A.; Lhoste, J.; Bardeau, J.-F.; Corbel, G. Synthesis, structural and electrical characterization of a new organic inorganic bromide: [(C3H7)4N]2CoBr4 RSC Advances, 2022, 12, 2798-2809
7244275	CIF	C30 H48 Cl9 N3 Sb2	P 1 21/c 1	9.2809; 25.774; 17.6172 90; 92.261; 90	4210.9	Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang Band gap modulation of organic–inorganic Sb(iii) halide by molecular design CrystEngComm, 2022
7244276	CIF	C30 H45 Cl9 F3 N3 Sb2	P -1	9.275; 13.826; 18.274 83.423; 89.796; 76.621	2264.1	Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang Band gap modulation of organic–inorganic Sb(iii) halide by molecular design CrystEngComm, 2022
7244277	CIF	C30 H45 Cl12 N3 Sb2	P -1	9.1074; 14.2404; 18.54 84.512; 89.419; 77.186	2333.7	Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang Band gap modulation of organic–inorganic Sb(iii) halide by molecular design CrystEngComm, 2022
7244278	CIF	C30 H45 Br3 Cl9 N3 Sb2	P -1	9.3055; 14.9937; 18.0441 84.989; 86.538; 74.258	2412.13	Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang Band gap modulation of organic–inorganic Sb(iii) halide by molecular design CrystEngComm, 2022
7244279	CIF	C408 H248 Eu16 N52 O112	F d d d :2	22.3041; 28.6028; 29.0127 90; 90; 90	18508.9	Sun, Yin-Xia; Guo, Geng; Ding, Wen-Min; Han, Wen-Yu; Li, Juan; Deng, Zhe-Peng A highly stable Eu-MOF multifunctional luminescent sensor for the effective detection of Fe3+, Cr2O72−/CrO42− and aspartic acid in aqueous systems CrystEngComm, 2022, 24, 1358-1367
7244280	CIF	C10 H11 Br O5	P 1 21/n 1	4.8141; 27.892; 8.7246 90; 104.63; 90	1133.51	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244281	CIF	C10 H12 Br N O5	P 1 21/n 1	10.8995; 17.2454; 13.5191 90; 111.328; 90	2367.1	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244282	CIF	C9 H11 Br O5	P 1 21/c 1	10.7541; 5.1393; 18.7589 90; 91.411; 90	1036.46	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244283	CIF	C10 H11 Br2 N O5	P n a 21	17.681; 3.8913; 18.1986 90; 90; 90	1252.1	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244284	CIF	C9 H11 Br O5 S	P -1	7.8467; 8.5738; 9.3115 73.0626; 68.6204; 83.6321	558.02	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244285	CIF	C9 H9 Br O5	P -1	4.275; 10.1068; 12.6263 108.66; 98.455; 97.857	501.32	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244286	CIF	C9 H9 Br O4.5	P -1	4.9186; 14.079; 14.695 97.214; 91.367; 98.717	996.9	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244287	CIF	C11 H12 Br2 O6	P 1 21/n 1	5.0921; 9.6935; 27.0491 90; 91.041; 90	1334.93	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244288	CIF	C11 H13 Br O5	P 1 21/c 1	4.8148; 15.5203; 15.6723 90; 96.448; 90	1163.74	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244289	CIF	C9 H10 O6	P 1 21/n 1	4.6177; 17.933; 11.6033 90; 99.898; 90	946.56	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244290	CIF	C12 H16 Br2 O5	P 1 21/c 1	8.1238; 24.7317; 7.2459 90; 93.5848; 90	1452.96	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244291	CIF	C8 H9 Br O5	P 1 21/c 1	4.8463; 14.8609; 13.0678 90; 95.0313; 90	937.52	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244292	CIF	C10 H13 N O5	P 1 21/c 1	12.32; 24.91; 7.009 90; 96.322; 90	2137.9	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244293	CIF	C11 H13 Br O6	P n m a	22.7597; 6.6011; 16.7307 90; 90; 90	2513.6	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244294	CIF	C11 H12 Br2 O5	P 1 21/n 1	4.9275; 16.6356; 15.8268 90; 97.1838; 90	1287.17	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244295	CIF	C9 H10 O5	P 1 21/c 1	13.2219; 6.4624; 11.2303 90; 111.089; 90	895.3	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244296	CIF	C9 H8 Br2 O6	I 1 2/a 1	17.2749; 3.9072; 35.441 90; 98.9201; 90	2363.2	Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022
7244297	CIF	C23 H26 O3	P 1 21/n 1	11.353; 13.367; 12.835 90; 100.25; 90	1917	Sharapov, Ainur D.; Fatykhov, Ramil F.; Khalymbadzha, Igor A.; Sharutin, Vladimir V.; Santra, Sougata; Zyryanov, Grigory V.; Chupakhin, Oleg N.; Ranu, Brindaban C. Mechanochemical synthesis of coumarins via Pechmann condensation under solvent-free conditions: an easy access to coumarins and annulated pyrano[2,3-f] and [3,2-f]indoles Green Chemistry, 2022, 24, 2429-2437
7244298	CIF	C20 H26 O6 P2	F d d 2	21.1103; 21.6232; 8.7121 90; 90; 90	3976.8	Oßwald, Simon; Zippel, Christoph; Hassan, Zahid; Nieger, Martin; Bräse, Stefan C–P bond formation of cyclophanyl-, and aryl halides via a UV-induced photo Arbuzov reaction: a versatile portal to phosphonate-grafted scaffolds RSC Advances, 2022, 12, 3309-3312
7244299	CIF	C12 H4 F6 O8 Sc	P 1 21/n 1	4.9401; 15.61; 18.58 90; 95.47; 90	1426.3	Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P. Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand CrystEngComm, 2022
7244300	CIF	C12 H10 F6 O11 Sc	P -1	4.79757; 10.087; 18.1374 80.387; 84.542; 88.51	861.43	Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P. Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand CrystEngComm, 2022
7244301	CIF	C8 H3 F4 O6 Sc	P 1 21/c 1	6.4029; 7.5702; 19.555 90; 90.416; 90	947.8	Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P. Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand CrystEngComm, 2022
7244302	CIF	C16 H17 Cs F8 O16.5 Sc	C 2 2 21	11.7838; 47.9476; 9.0077 90; 90; 90	5089.4	Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P. Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand CrystEngComm, 2022
7244303	CIF	C24 H8 F12 O16 Sc2	P -1	5.0987; 15.675; 20.124 67.45; 86.97; 89.01	1483.3	Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P. Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand CrystEngComm, 2022
7244304	CIF	C16 H18 F8 K O17 Sc	F d d d :2	8.9823; 11.4355; 48.3424 90; 90; 90	4965.6	Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P. Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand CrystEngComm, 2022
7244305	CIF	C16 H22 F8 N O17 Sc	P 1 21/n 1	11.5295; 9.0506; 24.8337 90; 103.339; 90	2521.46	Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P. Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand CrystEngComm, 2022
7244306	CIF	Ag2 Mo2 O7	P -1	6.09721; 7.50731; 7.6779 110.428; 93.167; 113.509	294.172	Yan, Weixin; Zhu, Dongmei; Wang, Zhaofeng; Xia, Yunhao; Gui, Dong-Yun; Luo, Fa; Wang, Chun-Hai Ag2Mo2O7: an oxide solid-state Ag+ electrolyte RSC Advances, 2022, 12, 3494-3499
7244307	CIF	C18 H48 N4 O29 P2	C 2 2 21	8.916; 22.953; 19.545 90; 90; 90	3999.9	Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O) RSC Advances, 2022, 12, 3646-3653
7244308	CIF	C18 H28 N4 Na2 O35 P2	C 2 2 21	8.924; 22.99; 19.456 90; 90; 90	3992	Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O) RSC Advances, 2022, 12, 3646-3653
7244309	CIF	C18 H22 N4 Na3 O36 P2	C 2 2 21	8.917; 22.854; 19.353 90; 90; 90	3944	Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O) RSC Advances, 2022, 12, 3646-3653
7244310	CIF	C18 H22 N4 Na4 O32 P2	C 2 2 21	8.9287; 22.941; 19.433 90; 90; 90	3980.5	Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O) RSC Advances, 2022, 12, 3646-3653
7244311	CIF	C32 H22 N4 O10 U Zn	P 1 2/n 1	12.0722; 8.0184; 16.9466 90; 108.408; 90	1556.49	Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes CrystEngComm, 2022
7244312	CIF	C11 H13 N O7 U	P -1	7.3392; 8.7663; 11.8187 109.042; 92.0632; 108.711	672.34	Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes CrystEngComm, 2022
7244313	CIF	C43 H82 N2 O16 U2	C 1 2/c 1	30.9868; 13.0858; 16.4519 90; 115.924; 90	5999.8	Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes CrystEngComm, 2022
7244314	CIF	C13 H21 N O7 U	C 1 2/c 1	16.4803; 8.2141; 24.4218 90; 98.7372; 90	3267.63	Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes CrystEngComm, 2022
7244315	CIF	C74 H108.2 Cl4 Mn2 N8.2 O30	P -1	9.5605; 15.8753; 31.531 92.892; 93.983; 98.707	4710	Buchanan, Jenna; Dais, Tyson N.; Plieger, Paul Computational Studies of the Magneto-structural Correlations in a Manganese Dimer with Jahn-Teller Distortions Physical Chemistry Chemical Physics, 2022
7244316	CIF	Fe Li0.94 N0.16 O3.84 P	P n m a	10.3261; 6.0071; 4.6943 90; 90; 90	291.19	Mayer, Sergio Federico; de la Calle, Cristina; Fernández-Díaz, María Teresa; Amarilla, José Manuel; Alonso, José Antonio Nitridation effect on lithium iron phosphate cathode for rechargeable batteries RSC Advances, 2022, 12, 3696-3707
7244317	CIF	C15 H18 N O2 S Se Zn	P -1	8.4306; 9.2108; 10.5745 76.941; 88.026; 75.718	775	Upadhyay, Aditya; Saurav, K. V.; Varghese, Evelin Lilly; Hodage, Ananda S.; Paul, Amit; Awasthi, Mahendra Kumar; Singh, Sanjay Kumar; Kumar, Sangit Proton reduction by a bimetallic zinc selenolate electrocatalyst RSC Advances, 2022, 12, 3801-3808
7244318	CIF	C55 H90 N26 O32	C 1 2/c 1	15.006; 20.6811; 22.944 90; 99.494; 90	7022.9	Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane CrystEngComm, 2022, 24, 1955-1965
7244319	CIF	C57 H60 N28 O34 U2	P -1	12.304; 12.4966; 13.125 64.88; 89.809; 79.159	1787.9	Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane CrystEngComm, 2022, 24, 1955-1965
7244320	CIF	C54 H69 N26 O40 S2 U2	P -1	12.4914; 13.5836; 13.6906 105.65; 95.32; 113.732	1993.62	Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane CrystEngComm, 2022, 24, 1955-1965
7244321	CIF	C440 H512 N208 O224 S8 U12	P 1 21/c 1	23.0996; 18.4319; 33.9541 90; 103.095; 90	14080.7	Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane CrystEngComm, 2022, 24, 1955-1965
7244322	CIF	C110 H122 Cl N52 O51 S2 U3	P 21 21 21	23.1168; 24.6194; 24.9596 90; 90; 90	14205.1	Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane CrystEngComm, 2022, 24, 1955-1965
7244323	CIF	C55 H62 Br0.27 N27.74 O29.21 U2	C 1 c 1	18.3214; 17.8962; 22.4009 90; 113.982; 90	6710.8	Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane CrystEngComm, 2022, 24, 1955-1965
7244324	CIF	Ag4 H6 N22	P 1 21/c 1	9.0932; 9.1069; 9.8502 90; 108.847; 90	772	Zhang, Xiaopeng; Hou, Tianyang; Lin, Qiuhan; Wang, Pengcheng; Li, Dongxue; Xu, Yuangang; Lu, Ming Fascinating 3D energetic [Ag2(N5)2(EDA)]n: filling the ethylenediamine molecules into [Ag(N5)]n framework CrystEngComm, 2022
7244325	CIF	C32 H32 Cd N8 O12	P -1	7.6046; 10.4682; 12.881 75.411; 86.794; 79.566	975.9	Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar Modulating catalytic activity of a modified flavin analogue via judicially positioned metal ion toward aerobic sulphoxidation RSC Advances, 2022, 12, 3990-3995
7244326	CIF	C15 H17 N2 O8 Tb	C 1 2/c 1	18.6318; 11.4451; 19.7386 90; 106.504; 90	4035.7	Yang, Xiaozhan; Liang, Yicun; Feng, Wenlin; Yang, Chaolong; Wang, Lian; Huang, Guojia; Wang, Daoyuan Hollow terbium metal–organic-framework spheres: preparation and their performance in Fe3+ detection RSC Advances, 2022, 12, 4153-4161
7244327	CIF	C16 H20 Br N O4	P 21 21 21	7.7807; 13.9973; 15.18 90; 90; 90	1653.24	Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L. Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives RSC Advances, 2022, 12, 4187-4190
7244328	CIF	C17 H21 N O3 S	P 21 21 21	5.467; 27.8275; 32.842 90; 90; 90	4996.4	Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L. Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives RSC Advances, 2022, 12, 4187-4190