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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
7250503	CIF	C17 H19 Br Cl N O	P 1 21 1	8.669; 6.8018; 13.799 90; 102.534; 90	794.3	Ajaz, Aliya; Shaheen, Muhammad Ashraf; Fayyaz ur Rehman, Muhammad; Ahmad, Maqsood; Munawar, Khurram Shahzad; Siddique, Abu Bakar; Ashfaq, Muhammad; Ahmad, Nazir Synthesis, characterization and antidiabetic studies of novel amantadine-derived Schiff base (AHB) and its Zn(ii), Co(ii), Cr(iii) and VO(iv) complexes RSC Advances, 2025, 15, 18752-18765
7250504	CIF	C48 H60 O11 Ta2	C 1 2/c 1	22.0631; 10.1086; 21.7781 90; 95.399; 90	4835.6	Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers CrystEngComm, 2025, 27, 4734-4743
7250505	CIF	C46 H64 O11 Ta2	C 1 2/c 1	24.6357; 9.2183; 21.2142 90; 94.4971; 90	4802.9	Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers CrystEngComm, 2025, 27, 4734-4743
7250506	CIF	C52 H76 O20 Ta4	P 1 21/n 1	11.9823; 18.5216; 14.426 90; 95.784; 90	3185.3	Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers CrystEngComm, 2025, 27, 4734-4743
7250507	CIF	C68 H84 O20 Ta4	P 1 21/n 1	14.4485; 12.6909; 20.2649 90; 102.852; 90	3622.8	Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers CrystEngComm, 2025, 27, 4734-4743
7250508	CIF	C224 H222 O72 Ta16	P -1	11.3938; 23.187; 24.311 87.046; 78.852; 80.786	6218.8	Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers CrystEngComm, 2025, 27, 4734-4743
7250509	CIF	C20 H15 N O2	P b c n	17.2049; 8.2984; 21.2414 90; 90; 90	3032.7	Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases RSC Advances, 2025, 15, 18358-18371
7250510	CIF	C40 H26 Cl2 Cu N2 O4	P 1 21/n 1	19.4435; 8.5568; 19.5887 90; 95.049; 90	3246.41	Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases RSC Advances, 2025, 15, 18358-18371
7250511	CIF	C48 H30 Cl2 Cu N2 O4	P -1	15.84505; 17.00945; 17.84919 110.539; 94.0343; 116.693	3872.46	Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases RSC Advances, 2025, 15, 18358-18371
7250512	CIF	C40 H28 Cu N2 O4	P -1	8.4841; 10.2724; 10.907 104.192; 107.674; 111.408	772.33	Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases RSC Advances, 2025, 15, 18358-18371
7250513	CIF	C20 H14 Cl N O2	P -1	7.346; 10.755; 10.8277 73.188; 88.452; 82.982	812.73	Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases RSC Advances, 2025, 15, 18358-18371
7250514	CIF	C24 H16 Cl N O2	P 21 21 21	7.5166; 16.8538; 28.8531 90; 90; 90	3655.21	Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases RSC Advances, 2025, 15, 18358-18371
7250515	CIF	C19 H14 N2 O4 S2	P -1	6.8591; 11.0368; 11.7919 93.795; 92.677; 105.124	857.97	Zagorskytė, Inesa; Arbačiauskienė, Eglė; Račkauskienė, Greta; Belyakov, Sergey; Bieliauskas, Aurimas; Rollin, Patrick; Šačkus, Algirdas A new synthetic approach to the 3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole system from ethyl 1H-indole-2-carboxylates and activated glycerol carbonate RSC Advances, 2025, 15, 18947-18970
7250516	CIF	C12 H11 N O3	P n a 21	30.9767; 6.3602; 4.9575 90; 90; 90	976.72	Zagorskytė, Inesa; Arbačiauskienė, Eglė; Račkauskienė, Greta; Belyakov, Sergey; Bieliauskas, Aurimas; Rollin, Patrick; Šačkus, Algirdas A new synthetic approach to the 3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole system from ethyl 1H-indole-2-carboxylates and activated glycerol carbonate RSC Advances, 2025, 15, 18947-18970
7250517	CIF	C5 H7 N O4 Se	C 1 2/c 1	19.8196; 6.2682; 13.2167 90; 109.059; 90	1551.95	Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts Physical Chemistry Chemical Physics, 2025
7250518	CIF	C5 H6 N O4 Se	C 1 2/c 1	18.0562; 5.15783; 16.9795 90; 115.277; 90	1429.91	Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts Physical Chemistry Chemical Physics, 2025
7250519	CIF	C27 H27 N3 O9 Se2	P -1	9.91309; 10.3638; 14.6046 76.9481; 89.2209; 71.1833	1380.7	Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts Physical Chemistry Chemical Physics, 2025
7250520	CIF	C18 H44 N2 O9 Se2	P 1 21/n 1	15.70227; 10.12297; 16.96831 90; 102.994; 90	2628.11	Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts Physical Chemistry Chemical Physics, 2025
7250521	CIF	C5 H7 N O4 Se	C 1 2/c 1	19.6801; 6.2057; 13.0059 90; 108.101; 90	1509.79	Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts Physical Chemistry Chemical Physics, 2025
7250522	CIF	C5 H6 N O4 Se	I 1 2/a 1	16.7423; 5.11409; 18.4872 90; 118.292; 90	1393.81	Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts Physical Chemistry Chemical Physics, 2025
7250523	CIF	C18 H44 N2 O9 Se2	P 1 21/n 1	15.5015; 10.08722; 16.80632 90; 102.767; 90	2562.98	Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts Physical Chemistry Chemical Physics, 2025
7250524	CIF	C29 H32 Cl4 Co N3 O4	C 1 2/c 1	21.235; 19.69; 14.657 90; 97.922; 90	6070	Sundaresan, Sriram; Müller, Julia; Carrella, Luca M.; Rentschler, Eva Elucidating substituent effects in magnetic properties of redox active cobalt complexes and testing them as potential catalysts for HER RSC Advances, 2025, 15, 19287-19294
7250525	CIF	C64 H78 Co2 N4 O9	P -1	11.0407; 11.0875; 24.7624 92.046; 99.904; 102.261	2909.7	Sundaresan, Sriram; Müller, Julia; Carrella, Luca M.; Rentschler, Eva Elucidating substituent effects in magnetic properties of redox active cobalt complexes and testing them as potential catalysts for HER RSC Advances, 2025, 15, 19287-19294
7250526	CIF	C29 H32 Br4 Co N3 O4	P 1 2/n 1	14.9353; 9.6277; 21.1281 90; 98.844; 90	3001.94	Sundaresan, Sriram; Müller, Julia; Carrella, Luca M.; Rentschler, Eva Elucidating substituent effects in magnetic properties of redox active cobalt complexes and testing them as potential catalysts for HER RSC Advances, 2025, 15, 19287-19294
7250527	CIF	C25 H25 Cl Dy N5 O5	P 1 21/c 1	7.54622; 25.77176; 13.72571 90; 94.0002; 90	2662.86	Ahmed, Naushad; Nabi, Rizwan; Zhang, Xiaoguang; Darensbourg, Donald J. Ladder-type 1D coordination polymer of Dy(iii): synthesis and investigation of magnetic behaviour CrystEngComm, 2025, 27, 4508-4515
7250528	CIF	C22 H28 N2 O4 Zn	P 1 21/c 1	11.7255; 14.4835; 13.8775 90; 99.984; 90	2321.1	Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds CrystEngComm, 2025, 27, 5104-5125
7250529	CIF	C40 H44 Cl4 N4 O9 Zn2	P c c n	21.993; 10.4162; 18.6268 90; 90; 90	4267.1	Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds CrystEngComm, 2025, 27, 5104-5125
7250530	CIF	C36 H36 Cl4 N4 O8 Zn2	C 1 2/c 1	27.2641; 9.4294; 17.5738 90; 123.972; 90	3746.8	Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds CrystEngComm, 2025, 27, 5104-5125
7250531	CIF	C25 H31 Cl4 N3 O5 Zn	P -1	7.3148; 12.0737; 17.2426 88.103; 82.599; 87.794	1508.39	Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds CrystEngComm, 2025, 27, 5104-5125
7250532	CIF	C24 H34 Cl4 N2 O7 S Zn	P 1 21/c 1	11.9713; 16.7097; 15.6498 90; 98.033; 90	3099.8	Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds CrystEngComm, 2025, 27, 5104-5125
7250533	CIF	C13 H10 N2 O2	P -1	4.2781; 10.2684; 13.9473 104.65; 92.096; 90.875	592.19	Kumari, Lalita; Mittal, Rupali; Khurana, Mehak; Awasthi, Satish Kumar Synthesis and structural analysis of a ZIF-9/GO composite for green catalytic C–C bond formation and N-formylation: a spectroscopic study RSC Advances, 2025, 15, 19500-19514
7250534	CIF	C7 H5 F2 N O	P 1 n 1	3.7817; 13.1946; 6.9708 90; 103.654; 90	338	Kumari, Lalita; Mittal, Rupali; Khurana, Mehak; Awasthi, Satish Kumar Synthesis and structural analysis of a ZIF-9/GO composite for green catalytic C–C bond formation and N-formylation: a spectroscopic study RSC Advances, 2025, 15, 19500-19514
7250535	CIF	C8 H5 N2 S	P 1 21/c 1	5.6969; 18.5921; 7.4729 90; 97.589; 90	784.58	Kumari, Lalita; Mittal, Rupali; Khurana, Mehak; Awasthi, Satish Kumar Synthesis and structural analysis of a ZIF-9/GO composite for green catalytic C–C bond formation and N-formylation: a spectroscopic study RSC Advances, 2025, 15, 19500-19514
7250536	CIF	C11 H9 Cl N2 S	P -1	7.0444; 7.5521; 10.9795 86.717; 74.314; 71.736	533.79	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250537	CIF	C14 H22 Si2	C 1 2/c 1	21.894; 5.8084; 11.885 90; 102.21; 90	1477.2	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250538	CIF	C15 H17 Cl N2 S	C 1 2/c 1	28.278; 6.1225; 20.5471 90; 122.03; 90	3015.8	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250539	CIF	C23 H11 Eu N3 O11	C 1 2/c 1	28.4963; 10.0575; 27.113 90; 118.632; 90	6820.4	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250540	CIF	C11 H8 Cl F N2 S	P -1	6.0518; 7.0245; 13.5533 88.682; 80.727; 74.433	547.65	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250541	CIF	C12 H11 Cl N2 O S	P c a 21	8.6332; 6.0348; 46.857 90; 90; 90	2441.2	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250542	CIF	C23 H13 N3 O11 Tb	C 1 2/c 1	28.4888; 10.0261; 27.1521 90; 118.885; 90	6790.6	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250543	CIF	C11 H16 Cl N3 O2 S	P 1 21/c 1	15.1462; 9.073; 10.1184 90; 90.108; 90	1390.48	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250544	CIF	C11 H9 Cl N2 O S	P -1	7.4398; 8.2528; 9.8182 73.462; 77.946; 82.09	563.18	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature CrystEngComm, 2025, 27, 4351-4359
7250545	CIF	C16 H18 Ag N7 O3	P -1	7.4241; 9.5025; 12.4352 92.472; 92.34; 95.168	872.01	Climova, Alina; Pivovarova, Ekaterina; Szczesio, Małgorzata; Gobis, Katarzyna; Korga-Plewko, Agnieszka; Iwan, Magdalena; Kordialik-Bogacka, Edyta; Ścieszka, Sylwia; Marek, Jaromir; Czylkowska, Agnieszka Synthesis of new Ag(i) and Cd(ii) hydrozanomide-based complexes with antibacterial and anticancer properties RSC Advances, 2025, 15, 19598-19609
7250546	CIF	C34 H36 Ag N13 O7	P 1 21/c 1	11.6968; 16.4562; 18.2059 90; 92.669; 90	3500.56	Climova, Alina; Pivovarova, Ekaterina; Szczesio, Małgorzata; Gobis, Katarzyna; Korga-Plewko, Agnieszka; Iwan, Magdalena; Kordialik-Bogacka, Edyta; Ścieszka, Sylwia; Marek, Jaromir; Czylkowska, Agnieszka Synthesis of new Ag(i) and Cd(ii) hydrozanomide-based complexes with antibacterial and anticancer properties RSC Advances, 2025, 15, 19598-19609
7250547	CIF	C38 H44 Au F3 N4	P 1 21/n 1	10.1448; 15.7992; 22.586 90; 96.966; 90	3593.36	Brannan, Alexander C.; Phuoc, Nguyen Le; Linnolahti, Mikko; Romanov, Alexander S. Deep-Blue Thermally Activated Delayed Fluorescence from a CF3-substituted Carbene-Metal-Amide Complex Physical Chemistry Chemical Physics, 2025
7250548	CIF	C11 H7 F13 N2	P 1 21/c 1	23.813; 5.4295; 11.1728 90; 94.196; 90	1440.69	Lai, Joshua; Gladden-Bennett, Evelyn F.; Shimizu, Karina; Elstone, Naomi; Tanner, Theo; Demé, Bruno; Whitwood, Adrian Charles; Shimizu, Seishi; Lopes, José N.C; Slattery, John M.; Bruce, Duncan W. To Mix or Not to Mix: Charge and Polarity Effects on Alkyl/Fluoroalkyl Compound Miscibility§ Physical Chemistry Chemical Physics, 2025
7250549	CIF	C13 H7 F17 N2	P 1 21/c 1	30.1835; 5.5612; 10.3336 90; 93.232; 90	1731.8	Lai, Joshua; Gladden-Bennett, Evelyn F.; Shimizu, Karina; Elstone, Naomi; Tanner, Theo; Demé, Bruno; Whitwood, Adrian Charles; Shimizu, Seishi; Lopes, José N.C; Slattery, John M.; Bruce, Duncan W. To Mix or Not to Mix: Charge and Polarity Effects on Alkyl/Fluoroalkyl Compound Miscibility§ Physical Chemistry Chemical Physics, 2025
7250550	CIF	C44.5 H38.25 Co2 I4 N6 O9	P b c n	22.7381; 22.6517; 19.7113 90; 90; 90	10152.4	Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A. Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework CrystEngComm, 2025, 27, 4863-4867
7250551	CIF	C22.5 H20.13 Co I2 N2.87 O4.87	P n c 2	15.5617; 34.0855; 14.1496 90; 90; 90	7505.3	Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A. Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework CrystEngComm, 2025, 27, 4863-4867
7250552	CIF	C46 H56.58 B F18 N11 O12.29 S6	P 1 21/n 1	17.2248; 13.2729; 27.7992 90; 90.267; 90	6355.5	Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P. Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties RSC Advances, 2025, 15, 19947-19953
7250553	CIF	C42 H48 B F18 N11 O12 S6	P -1	12.8183; 15.0863; 18.2974 108.533; 91.68; 105.476	3207.91	Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P. Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties RSC Advances, 2025, 15, 19947-19953
7250554	CIF	C34 H40 B F18 N11 O12 S6	P -1	11.1886; 12.3411; 20.708 104.968; 96.406; 100.585	2676.99	Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P. Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties RSC Advances, 2025, 15, 19947-19953
7250555	CIF	C50 H56 B F18 N11 O12 S6	C 1 c 1	13.3318; 29.6715; 17.2747 90; 110.925; 90	6382.8	Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P. Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties RSC Advances, 2025, 15, 19947-19953
7250556	CIF	C36 H36 Cu Mo4 N4 O21	P -1	12.293; 14.761; 14.809 115.58; 109.27; 97.28	2171	Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB CrystEngComm, 2025, 27, 4547-4554
7250557	CIF	C36 H32 Mo4 N4 O19 Zn	P -1	12.5568; 14.1024; 15.0205 62.37; 67.445; 70.213	2133.9	Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB CrystEngComm, 2025, 27, 4547-4554
7250558	CIF	C36 H32 Fe Mo4 N4 O19	P -1	12.6641; 14.0351; 14.9858 62.904; 67.23; 69.827	2139.9	Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB CrystEngComm, 2025, 27, 4547-4554
7250559	CIF	C15 H15 Cl O S	P -1	9.2974; 10.0625; 15.8641 76.4892; 82.2856; 71.4025	1364.86	Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis Green Chemistry, 2025, 27, 7763-7770
7250560	CIF	C18 H16 F6 O2 S	P 1 21/c 1	21.0767; 9.2205; 9.3765 90; 95.69; 90	1813.23	Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis Green Chemistry, 2025, 27, 7763-7770
7250561	CIF	C36 N3 O23.703 Zr1.5	F d -3 m :2	39.925; 39.925; 39.925 90; 90; 90	63641	Langlois, Kyle R.; Wang, Yangyang; Joshua, Fnu; Newsome, Wesley J.; Zhai, Lei; Harper, James K.; Uribe-Romo, Fernando J. A multivariate library of zirconia metal–organic frameworks with dissolved p-nitroaniline dipoles and concentration-dependent optical and dielectric response CrystEngComm, 2025, 27, 4463-4469
7250562	CIF	C8 H2 Cl2 O2 S3	C 1 2/c 1	16.031; 6.9802; 9.3455 90; 101.26; 90	1025.6	Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene Physical Chemistry Chemical Physics, 2025
7250563	CIF	C8 H2 Br2 O2 S3	C 1 2/c 1	16.412; 6.9676; 9.5683 90; 99.34; 90	1079.7	Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene Physical Chemistry Chemical Physics, 2025
7250564	CIF	C2.29 H1.14 O0.57 S0.86	C 1 2/c 1	9.756; 12.219; 7.5175 90; 102.31; 90	875.5	Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene Physical Chemistry Chemical Physics, 2025
7250565	CIF	C2.67 H0.67 I0.67 O0.67 S	P c a 21	18.519; 4.9155; 12.812 90; 90; 90	1166.3	Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene Physical Chemistry Chemical Physics, 2025
7250566	CIF	C47 H40 Au Cl N2	P b c a	18.8209; 18.3643; 21.8306 90; 90; 90	7545.4	Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma RSC Medicinal Chemistry, 2025
7250567	CIF	C47 H40 Au Cl N2	P b c a	18.2277; 19.709; 20.7662 90; 90; 90	7460.3	Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma RSC Medicinal Chemistry, 2025
7250568	CIF	C37 H34 Au Cl4 N2	P 1 21/n 1	13.8388; 15.3932; 16.2823 90; 103.867; 90	3367.42	Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma RSC Medicinal Chemistry, 2025
7250569	CIF	C43 H31 Au Cl2 N2	C 1 2/c 1	20.9; 19.148; 18.831 90; 92.274; 90	7530	Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma RSC Medicinal Chemistry, 2025
7250570	CIF	C23.3 H28.6 Cl0.6 Fe I2 N5 O2.5 S	P 1 21/c 1	9.9536; 28.9081; 10.6554 90; 109.24; 90	2894.7	Ali, Basharat; Boonprab, Theerapoom; Thammasangwan, Warisa; Kaewmorakot, Sittipong; Karuwan, Chanpen; Tuantranont, Adisorn; Chastanet, Guillaume; Harding, David J.; Harding, Phimphaka Influence of a spin crossover iron(iii) complex on the detection of phenylenediamines of graphene-modified screen printed electrodes RSC Advances, 2025, 15, 20760-20769
7250571	CIF	C9 H15 Be2 F7 N6	R 3 2 :H	9.5908; 9.5908; 15.7681 90; 90; 120	1256.09	Charkin, Dmitri O.; Ivanov, Semen A.; Kireev, Vadim E.; Gosteva, Alevtina N.; Kompanchenko, Alena A.; Banaru, Alexander M.; Stefanovich, Sergey Yu.; Tananaev, Ivan G.; Aksenov, Sergey M. (C3H5N2)3[Be2F7]: the first imidazolium fluoroberyllate with a non-centrosymmetric structure based on linear tetrahedral [Be2F7]3− anions CrystEngComm, 2025, 27, 5184-5192
7250572	CIF	C31 H32 O3	P 21 21 21	6.4947; 13.8436; 27.5171 90; 90; 90	2474.06	Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L. An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons RSC Advances, 2025, 15, 20935-20943
7250573	CIF	C21 H25 Br O3	P 1 21 1	11.2895; 6.4204; 13.5684 90; 100.462; 90	967.13	Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L. An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons RSC Advances, 2025, 15, 20935-20943
7250574	CIF	C23 H28 O3	P 1 21 1	11.6154; 6.2473; 13.6735 90; 99.808; 90	977.71	Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L. An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons RSC Advances, 2025, 15, 20935-20943
7250575	CIF	C29 H31 Br O3	P 1 21 1	5.98182; 7.54889; 27.9195 90; 93.2965; 90	1258.65	Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L. An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons RSC Advances, 2025, 15, 20935-20943
7250576	CIF	C58 H58 Br2 O6	P 1 21 1	9.2662; 8.5188; 31.277 90; 93.481; 90	2464.35	Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L. An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons RSC Advances, 2025, 15, 20935-20943
7250577	CIF	C68 H62 O6	I 1 2 1	24.4751; 14.97496; 30.655 90; 151.936; 90	5286	Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L. An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons RSC Advances, 2025, 15, 20935-20943
7250578	CIF	C19 H17 N S	P -1	9.0381; 9.7302; 10.2613 101.159; 110.509; 108.369	753.79	Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials CrystEngComm, 2025, 27, 5398-5403
7250579	CIF	C19 H17 N S	P 1 21/c 1	17.7329; 18.9012; 37.568 90; 119.535; 90	10955.5	Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials CrystEngComm, 2025, 27, 5398-5403
7250580	CIF	C18 H18 Br N O2 S	P 1 21/c 1	11.378; 8.0513; 19.674 90; 106.635; 90	1726.9	Bora, Surjya Kumar; Saikia, Anil K. Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes RSC Advances, 2025, 15, 21257-21268
7250581	CIF	C18 H18 Br2 Cl N O2 S	P 1 21/c 1	11.4025; 15.3012; 11.8426 90; 112.487; 90	1909.1	Bora, Surjya Kumar; Saikia, Anil K. Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes RSC Advances, 2025, 15, 21257-21268
7250582	CIF	C19 H21 Br Cl N O2 S	C 1 c 1	20.319; 10.44; 9.3782 90; 100.424; 90	1956.6	Bora, Surjya Kumar; Saikia, Anil K. Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes RSC Advances, 2025, 15, 21257-21268
7250583	CIF	C111 H109 Mn6 N15 O35	P -1	14.2545; 18.04; 30.3498 91.749; 96.795; 100.827	7600.6	Sun, Qing; Yang, Chen; Han, Shaoyang; Liu, Xin; Li, Meichao; Shen, Zhenlu Construction of novel Mn-based metal–organic frameworks for regioselective cross-dehydrogenative coupling of coumarins and dimethylanilines CrystEngComm, 2025, 27, 4985-4991
7250584	CIF	C48 H28 N4 O10 Zn3	P 1 2/m 1	6.6; 16.6; 12.4 90; 100.1; 90	1337	Ibrahim, May R.; Alneyadi, Shaikha; Truong, Khai-Nghi; Maghraby, Hesham El-; Abdellah, Mohamed; El-Zohry, Ahmed M.; Wuttke, Stefan; Greish, Yaser Design of a Zn-based porphyrin MOF biosensor for fluorometric detection of HER2 as a breast cancer biomarker RSC Advances, 2025, 15, 21479-21492
7250585	CIF	C4 H8 Cl N5 O5	P 1 21/c 1	7.8315; 8.8391; 12.7423 90; 92.95; 90	880.9	Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei Constructing high-performance and insensitive energetic salts through increased hydrogen bonds CrystEngComm, 2025, 27, 4976-4984
7250586	CIF	C4 H8 N6 O4	P b c a	9.9288; 6.5054; 24.75 90; 90; 90	1598.62	Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei Constructing high-performance and insensitive energetic salts through increased hydrogen bonds CrystEngComm, 2025, 27, 4976-4984
7250587	CIF	C5 H8 N8 O7	P 1 21/n 1	7.3547; 17.502; 8.7636 90; 109.734; 90	1061.82	Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei Constructing high-performance and insensitive energetic salts through increased hydrogen bonds CrystEngComm, 2025, 27, 4976-4984
7250588	CIF	C6 H11 N5 O3	P 1 21/n 1	11.5773; 6.4537; 12.635 90; 117.101; 90	840.39	Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei Constructing high-performance and insensitive energetic salts through increased hydrogen bonds CrystEngComm, 2025, 27, 4976-4984
7250589	CIF	C6 H6 Fe N6 Na2 O3	I 1 2/a 1	12.937; 7.8904; 24.4181 90; 104.462; 90	2413.57	Lewis, Sam G.; Coulson, Ben A.; Harris, Kenneth D. M.; Warren, Anna J.; Warren, Mark R.; Hatcher, Lauren E. Controlled microcrystallization for in situ photocrystallography: optimizing crystal size and habit CrystEngComm, 2025, 27, 4965-4975
7250590	CIF	C16 H23 N O3	P 1 21 1	5.7962; 9.4231; 13.7625 90; 101.43; 90	736.77	Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction RSC Advances, 2025, 15, 21133-21141
7250591	CIF	C16 H22 F N O3	P 21 21 21	5.5276; 22.2991; 12.726 90; 90; 90	1568.61	Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction RSC Advances, 2025, 15, 21133-21141
7250592	CIF	C16 H22 F N O3	P 21 21 21	6.08342; 12.36031; 21.0393 90; 90; 90	1582.01	Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction RSC Advances, 2025, 15, 21133-21141
7250593	CIF	C16 H22 F N O3	P 21 21 21	6.0869; 12.398; 20.9757 90; 90; 90	1582.94	Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction RSC Advances, 2025, 15, 21133-21141
7250594	CIF	C16 H22 N O3	P 21 21 21	6.2527; 13.3719; 18.7005 90; 90; 90	1563.6	Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction RSC Advances, 2025, 15, 21133-21141
7250595	CIF	C54 H52 N6 O5	P 1 21/c 1	10.9888; 18.4115; 12.1884 90; 109.374; 90	2326.32	Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds RSC Advances, 2025, 15, 21872-21878
7250596	CIF	C27 H25 N3 O3	P b c a	19.2491; 9.9787; 22.4268 90; 90; 90	4307.8	Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds RSC Advances, 2025, 15, 21872-21878
7250597	CIF	C55 H48 Cl2 N6 O4	P 1 n 1	14.0724; 41.3599; 16.7154 90; 102.813; 90	9486.7	Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds RSC Advances, 2025, 15, 21872-21878
7250598	CIF	C16 H15 N O4	C m c e	6.8069; 18.566; 20.81 90; 90; 90	2629.9	Mirza, Yafia Kousin; Bera, Partha Sarathi; Nandini, R.; Talukdar, Dhrubajyoti; Mohite, Sachin Balaso; Mane, Manoj V.; Bera, Milan Unlocking enhanced reactivity of hexafluoroisopropanol: a sustainable atom economical approach to selective cascade di-π-functionalization of allenamides Green Chemistry, 2025, 27, 8972-8979
7250599	CIF	C25 H22 F6 O4	P 1 21/c 1	11.3402; 23.0483; 8.6428 90; 94.19; 90	2252.95	Migliaccio, Analise C.; Weeks, Nathan J.; Iacono, Scott T. Modularly prepared segmented fluorinated silicones and their anomalous microstructure dependent flow behavior. RSC advances, 2025, 15, 21429-21438
7250600	CIF	C36 H26 F12 O6	P 1 21/n 1	10.9496; 8.8262; 18.0438 90; 106.697; 90	1670.29	Migliaccio, Analise C.; Weeks, Nathan J.; Iacono, Scott T. Modularly prepared segmented fluorinated silicones and their anomalous microstructure dependent flow behavior. RSC advances, 2025, 15, 21429-21438
7250601	CIF	C17 H12 F2 O4 S	P 1 21/c 1	6.819; 14.7869; 14.7647 90; 91.279; 90	1488.4	Jiang, Boye; Zhang, Juan; Wang, Boning; Zhou, Airui; Zou, Yan; Meng, Qingguo; Zhao, Qingjie; Chai, Xiaoyun; Gai, Conghao Carbamothioate-mediated Selectfluor™ oxidation for the synthesis of benzenesulfonyl fluorides in chalcone derivatives RSC Advances, 2025, 15, 22018-22022
7250602	CIF	C52 H46 Cd3.99 N2 Na2 O44	C 1 2/c 1	18.813; 17.151; 25.366 90; 104.339; 90	7930	Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water CrystEngComm, 2025, 27, 5204-5212
7250603	CIF	C52 H66 Cd4 N2 O42	C c c a :2	20.2245; 24.9058; 17.2568 90; 90; 90	8692.4	Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water CrystEngComm, 2025, 27, 5204-5212
7250604	CIF	C13 H13 N O4	P 1 21/c 1	23.8084; 4.6171; 11.0799 90; 92.314; 90	1216.97	Guan, Yu; Wang, Bin; Ying, Yan-Ling; Li, Ping; Zhang, Zhan-Hui Copper(i) anchored on a covalent triazine framework/ionic liquid as a recyclable catalytic system for cyclization of propargylic amines with CO2 under ambient conditions Green Chemistry, 2025, 27, 9165-9177
7250605	CIF	C18 H22 N16 O10	P -1	4.5534; 11.8134; 12.2013 81.384; 88.616; 81.965	642.54	Zhang, Xing; Pan, Linhu; Li, Min; Jing, Jianquan; Xia, Honglei; Zhang, Qinghua Constructing insensitive heat-resistant energetic materials via hydrazo bridge mediated resonance-assisted hydrogen bonds CrystEngComm, 2025, 27, 5021-5029
7250606	CIF	C10 H10 N2 O3	P b c a	14.5415; 7.0417; 19.3451 90; 90; 90	1980.9	Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R. H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures CrystEngComm, 2025, 27, 5162-5172
7250607	CIF	C10 H7 F N2 O3	P b c a	11.3436; 8.3777; 20.5336 90; 90; 90	1951.38	Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R. H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures CrystEngComm, 2025, 27, 5162-5172
7250608	CIF	C10 H9 F N2 O3	P b c a	14.8617; 6.9928; 19.4887 90; 90; 90	2025.4	Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R. H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures CrystEngComm, 2025, 27, 5162-5172
7250609	CIF	C10 H10 N2 O3	P 1 21/c 1	41.5257; 12.188; 7.6472 90; 90.053; 90	3870.4	Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R. H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures CrystEngComm, 2025, 27, 5162-5172
7250610	CIF	C20 H16 N4 O6	C 1 c 1	19.8269; 5.3804; 9.1694 90; 96.462; 90	971.95	Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R. H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures CrystEngComm, 2025, 27, 5162-5172
7250611	CIF	C21 H18 Cd N2 O7	P -1	10.1022; 10.2035; 11.395 99.416; 99.647; 119.113	969.83	Yuan, Nana; Cao, Jia; Ren, Yixia; Hou, Xiufang; Chen, Sanping Dual enabling photomediated Knoevenagel condensation and alkene perfluoroalkylation reactions by a photoresponsive cadmium–organic framework Green Chemistry, 2025, 27, 8603-8612
7250612	CIF	C0.98 H0.98 Ca0.02 Er0 N0.98 O0.98 Sn0.02	P -1	9.3094; 15.956; 28.392 96.344; 90.243; 104.661	4052.8	Wang, Xu; Fan, BinBin; Chen, Jing; Du, Jing; Pan, Dahai Nanocage-based {SnEr2}-organic framework for high catalytic performance in cycloaddition of CO2 with epoxides and Knoevenagel condensation RSC Advances, 2025, 15, 21914-21921
7250613	CIF	C12 H28 N2 O4 P2 S2	P -1	6.8399; 8.3288; 8.5473 84.974; 77.633; 87.946	473.72	Khorramaki, Maliheh; Pourayoubi, Mehrdad; Darugar, Vahidreza; Vakili, Mohammad; Nečas, Marek; Akbari, Mahmood; Maaza, Malik Competition among weak C–H⋯O/S/H interactions in the crystal structure of {(C2H5O)2P(S)}2N2C4H8 bis(thiophosphoramide): experimental/computational studies RSC Advances, 2025, 15, 22671-22681
7250614	CIF	C73 H48 B Cu F20 N4	P -1	11.4114; 16.1748; 19.6865 113.206; 90.648; 94.667	3324.89	Tomita, Ryunosuke; Jin, Mingoo Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media CrystEngComm, 2025, 27, 5618-5624
7250615	CIF	C81 H59 B Cu F24 N4	P 1 21/c 1	13.43416; 19.85881; 28.77729 90; 93.4025; 90	7663.86	Tomita, Ryunosuke; Jin, Mingoo Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media CrystEngComm, 2025, 27, 5618-5624
7250616	CIF	C71 H56 B Cu F24 N4	P 1 21/c 1	12.27189; 15.93292; 36.59908 90; 98.9216; 90	7069.53	Tomita, Ryunosuke; Jin, Mingoo Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media CrystEngComm, 2025, 27, 5618-5624
7250617	CIF	C11 H10 N2 O7 Sr	P -1	8.5444; 8.9657; 9.8947 65.259; 87.895; 73.816	658.4	Teixeira, Michaël; Baudron, Stéphane A. Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent CrystEngComm, 2025, 27, 5421-5430
7250618	CIF	C11 H10 N2 O5 Sr	P 1 21/n 1	9.899; 7.3502; 17.549 90; 90.527; 90	1276.8	Teixeira, Michaël; Baudron, Stéphane A. Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent CrystEngComm, 2025, 27, 5421-5430
7250619	CIF	C14.5 H11 F6 N3 O5.5 Sr	P -1	8.1199; 11.4685; 20.653 90.29; 97.103; 90.402	1908.4	Teixeira, Michaël; Baudron, Stéphane A. Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent CrystEngComm, 2025, 27, 5421-5430
7250620	CIF	C14 H14 Br2 N4 O6 Sr	P -1	8.3624; 10.0318; 11.0092 93.106; 90.183; 100.056	907.96	Teixeira, Michaël; Baudron, Stéphane A. Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent CrystEngComm, 2025, 27, 5421-5430
7250621	CIF	C14 H15 N5 O6 Sr	I 41/a :2	27.3016; 27.3016; 13.4005 90; 90; 90	9988.4	Teixeira, Michaël; Baudron, Stéphane A. Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent CrystEngComm, 2025, 27, 5421-5430
7250622	CIF	C14 H16 N4 O6 Sr	I 41/a :2	22.2525; 22.2525; 13.4124 90; 90; 90	6641.47	Teixeira, Michaël; Baudron, Stéphane A. Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent CrystEngComm, 2025, 27, 5421-5430
7250623	CIF	C12 H14 N4 O6 S Sr	C 1 2/c 1	30.943; 5.8323; 17.507 90; 90.591; 90	3159.3	Teixeira, Michaël; Baudron, Stéphane A. Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent CrystEngComm, 2025, 27, 5421-5430
7250624	CIF	C21 H22 N6 O13 Sr2	P 1 21/n 1	10.7902; 17.9102; 14.8163 90; 106.409; 90	2746.69	Teixeira, Michaël; Baudron, Stéphane A. Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent CrystEngComm, 2025, 27, 5421-5430
7250625	CIF	C19.5 H13.5 Cu F4.5 N6 O4 S	P -1	9.9888; 11.4316; 12.6577 104.81; 94.908; 102.704	1347.64	Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate CrystEngComm, 2025, 27, 4071-4080
7250626	CIF	C26 H24 Cu N8 O4 S	P -1	11.1084; 12.6501; 13.3862 70.221; 86.43; 85.507	1763.4	Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate CrystEngComm, 2025, 27, 4071-4080
7250627	CIF	C24 H18 Cl2 Cu N8 O4 S	P -1	11.078; 12.6235; 13.3342 70.642; 86.43; 85.269	1752.07	Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate CrystEngComm, 2025, 27, 4071-4080
7250628	CIF	C26 H24 Cu N8 O6 S	P -1	12.3984; 12.6201; 14.299 69.269; 64.997; 64.189	1785.35	Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate CrystEngComm, 2025, 27, 4071-4080
7250629	CIF	C34 H29 N3 S	P -1	9.1139; 10.7892; 14.2581 101.387; 94.491; 97.68	1354.17	Afrin, A.; P, Chinna Ayya Swamy Structural modulations: unraveling the impact of benzothiazole positions on the optical properties of carbazole–cyanostilbenes CrystEngComm, 2025, 27, 3664-3674
7250630	CIF	C35 H42 Br F N4 O4	P -1	10.192; 13.023; 13.452 94.774; 105.146; 94.739	1707.3	Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs CrystEngComm, 2025, 27, 2998-3005
7250631	CIF	C37 H39 Br F N5 O4	P -1	12.7596; 12.7738; 13.177 110.597; 90.033; 118.704	1725.4	Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs CrystEngComm, 2025, 27, 2998-3005
7250632	CIF	C21 H24 Cl2 Cu N6 O11	P 1 21/c 1	15.0312; 9.3081; 19.6029 90; 101.075; 90	2691.6	Zhao, Bin-shan; Zhang, Chao; Lu, Zu-jia; Dong, Wen-shuai; Xu, Mei-qi; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties CrystEngComm, 2025, 27, 3032-3040
7250633	CIF	C14 H16 Cl2 Cu N4 O10	P 1 21/c 1	9.9076; 7.1785; 14.717 90; 108.113; 90	994.83	Zhao, Bin-shan; Zhang, Chao; Lu, Zu-jia; Dong, Wen-shuai; Xu, Mei-qi; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties CrystEngComm, 2025, 27, 3032-3040
7250634	CIF	C3 H5 Br4 N2 S Sb	P -1	7.553; 9.3446; 9.6219 86.478; 66.993; 71.718	592.09	Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites CrystEngComm, 2025, 27, 3320-3325
7250635	CIF	C3 H5 Br4 N2 S Sb	C 1 2/c 1	13.5885; 13.4694; 7.5873 90; 120.686; 90	1194.25	Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites CrystEngComm, 2025, 27, 3320-3325
7250636	CIF	C3 H5 Bi Br4 N2 S	C 1 2/c 1	13.4541; 13.6664; 7.5122 90; 118.77; 90	1210.76	Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites CrystEngComm, 2025, 27, 3320-3325
7250637	CIF	C3 H5 Bi Br4 N2 S	P 1 21/c 1	8.9986; 17.8803; 7.3616 90; 95.761; 90	1178.48	Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites CrystEngComm, 2025, 27, 3320-3325
7250638	CIF	C46 H63.5 Cl1.5 N5 O4	P -1	12.6355; 14.5471; 15.0531 61.623; 70.727; 67.089	2206.18	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250639	CIF	C47 H59 N6 O4	C 1 2/m 1	13.5541; 25.3522; 15.2379 90; 104.797; 90	5062.5	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250640	CIF	C47 H60 N5 O5	P -1	12.8152; 14.8332; 14.9878 96.264; 111.759; 113.286	2318.8	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250641	CIF	C92 H134 Cl4 N10 O12	P -1	15.1531; 17.6198; 19.7365 102.794; 90.793; 113.6	4677.8	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250642	CIF	C49 H69 N5 O6	P -1	12.1297; 14.6354; 15.2121 104.844; 113.237; 90.513	2380.1	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250643	CIF	C48 H62 N5 O5	P -1	12.1319; 14.3099; 15.1788 102.738; 110.436; 93.011	2384.2	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250644	CIF	C48 H62 N5 O6	P -1	12.1303; 14.6397; 15.2164 104.299; 111.887; 92.417	2402.51	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250645	CIF	C94 H118 Cl8 N10 O10	P -1	15.361; 17.925; 19.975 103.894; 91.039; 114.731	4805.4	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250646	CIF	C98 H131 N10 O10	P -1	14.8218; 15.0041; 24.178 99.601; 94.15; 118.184	4601.8	Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives CrystEngComm, 2025, 27, 2287-2291
7250647	CIF	C22 H16 Cl Hg N2 S16 Se2	P 1 21/n 1	8.3995; 10.924; 38.1055 90; 96.154; 90	3476.3	Henderson, A.; Razpopov, A.; Biswas, S.; Valentí, R.; Cui, H.; Kato, R.; Wei, K.; van Tol, J.; Siegrist, T.; Schlueter, J. A. One-dimensional antiferromagnetic chain in the cation radical salt α-(BEDT-TTF)2Hg(SeCN)2Cl CrystEngComm, 2025, 27, 2805-2809
7250648	CIF	C5 H18 B3 F12 N3	P n m a	10.064; 14.486; 20.686 90; 90; 90	3015.8	Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei Three-dimensional metal-free perovskite with switchable dielectric behaviors CrystEngComm, 2025, 27, 2810-2814
7250649	CIF	C5 B3 F12 N3	C m c m	10.449; 10.169; 14.541 90; 90; 90	1545.1	Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei Three-dimensional metal-free perovskite with switchable dielectric behaviors CrystEngComm, 2025, 27, 2810-2814
7250650	CIF	C18 H16 N4	P -1	9.0492; 9.5052; 9.9724 62.525; 75.236; 80.607	734.86	Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed CrystEngComm, 2025, 27, 3891-3898
7250651	CIF	C18 H20 N4 O2	P 1 21/c 1	18.149; 9.6466; 9.3799 90; 93.06; 90	1639.9	Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed CrystEngComm, 2025, 27, 3891-3898
7250652	CIF	C18 H17 N4 O0.5	C 1 2/c 1	20.541; 5.4683; 26.6872 90; 102.478; 90	2926.82	Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed CrystEngComm, 2025, 27, 3891-3898
7250653	CIF	C18 H18 N4 O	P b c a	9.7262; 10.1281; 31.3817 90; 90; 90	3091.35	Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed CrystEngComm, 2025, 27, 3891-3898
7250654	CIF	C164 H186 Bi2 Co4 O20 S16	P -1	13.814; 18.929; 19.532 67.633; 81.377; 86.179	4669	Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion CrystEngComm, 2025, 27, 3528-3536
7250655	CIF	C164 H186 Bi2 Ni4 O20 S16	P -1	13.8454; 19.0729; 19.6074 67.17; 80.576; 85.808	4707.5	Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion CrystEngComm, 2025, 27, 3528-3536
7250656	CIF	C20 H12 Cl4 I2 O4	P -1	5.4271; 6.512; 16.5542 99.824; 94.165; 99.031	566.34	Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation CrystEngComm, 2025, 27, 5100-5103
7250657	CIF	C24 H16 Cl4 I2 O4	P -1	5.3023; 6.6859; 18.7003 87.26; 82.172; 82.178	650.36	Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation CrystEngComm, 2025, 27, 5100-5103
7250658	CIF	C29 H21 F4 Ir N4 O2	C 1 2/c 1	31.3021; 10.513; 15.6391 90; 90.53; 90	5146.3	Behera, Suvasmita; Pradhan, Kahnu Charan; Barik, Sahadev; Sarkar, Moloy; Kumar, Jagadish; Dandapat, Jagneshwar; Pradhan, Jyotsnarani; Pal, Satyanarayan Anticancer efficacy of bis-heteroleptic iridium(iii) complexes with difluoro-substituted phenylpyridine ligands RSC Advances, 2025, 15, 22875-22888
7250659	CIF	C33 H20 F4 Ir N5 O	C 1 2/c 1	32.873; 10.621; 15.9665 90; 93.922; 90	5561.6	Behera, Suvasmita; Pradhan, Kahnu Charan; Barik, Sahadev; Sarkar, Moloy; Kumar, Jagadish; Dandapat, Jagneshwar; Pradhan, Jyotsnarani; Pal, Satyanarayan Anticancer efficacy of bis-heteroleptic iridium(iii) complexes with difluoro-substituted phenylpyridine ligands RSC Advances, 2025, 15, 22875-22888
7250660	CIF	C46 H40 Mn N2 O2 P2	P 31 2 1	17.5937; 17.5937; 29.4019 90; 90; 120	7881.7	Su, Yi; Zhu, Dongzhi; Ma, Zhifeng; Wang, Yizhou; Wang, Zechen; Wang, Zheng; Ma, Yanping; Sun, Wen-Hua 1,2-Diaminocyclohexane-derived chiral tetradentate ligands for Mn(i)-catalyzed asymmetric hydrogenation of ketones RSC Advances, 2025, 15, 23097-23102
7250661	CIF	C22 H28 O8	P 21 21 21	8.25833; 12.69524; 20.3354 90; 90; 90	2131.99	Williams, Katherine; Spencer, Catherine E.; de Mattos-Shipley, Kate M. J.; Shah, Anjali D.; Dao, Trong-Tuan; Davies, Jonathan A.; Heard, David M.; Song, Zhongshu; Winter, Ashley J.; Crump, Matthew P.; Willis, Christine L.; Bailey, Andrew M. In vivo and in vitro investigations provide insights into maleidride biosynthesis in fungi RSC Advances, 2025, 15, 22799-22806
7250662	CIF	C17 H20 N2 O2	C 1 c 1	9.4298; 17.407; 9.4334 90; 96.268; 90	1539.18	Rodríguez-Núñez, Yeray A; Sánchez-Márquez, Jesús; Quintero-Saumeth, Jorge; Guerra, Cristian J.; Polo-Cuadrado, Efraín; Villaman, David; Fica-Cornejo, Cristopher A; Romero Bohórquez, Arnold R Mechanistic insights on the Lewis acid-catalyzed three-component cationic Povarov reaction: synthesis of <i>N</i>-propargyl 1,2,3,4-tetrahydroquinolines. RSC advances, 2025, 15, 11799-11810
7250663	CIF	C120 H168 N8 O16	C 1 c 1	13.644; 13.7725; 16.2084 90; 105.381; 90	2936.7	Jing, Yutao; Zhang, Li; Qiu, Li; Fang, Yewen Modular reductive radical-polar crossover-based acyl migration reactions of <i>N</i>-vinylimides with alkyl, silyl, and acyl radicals. RSC advances, 2025, 15, 11582-11586
7250664	CIF	C57.8 H52.8 Br2 Cl2.39 N4 O11	P -1	9.7752; 11.4458; 24.731 94.352; 93.154; 108.044	2614.3	Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange CrystEngComm, 2025, 27, 5003-5009
7250665	CIF	C48 H50 N4 O9	P -1	16.4443; 16.6197; 17.6078 113.668; 105.994; 92.943	4164.5	Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange CrystEngComm, 2025, 27, 5003-5009
7250666	CIF	C59 H51 Br2 Cl15 N4 O10	P 1 21/m 1	9.667; 22.9197; 15.4712 90; 98.877; 90	3386.8	Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange CrystEngComm, 2025, 27, 5003-5009
7250667	CIF	C60 H58 Br2 N4 O12	P -1	9.7166; 11.3692; 24.7966 94.639; 92.734; 107.934	2590	Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange CrystEngComm, 2025, 27, 5003-5009
7250668	CIF	C103.5 H93.75 Br2 Cl9.75 N8 O16.75	P -1	9.59; 15.202; 18.069 107.935; 95.42; 92.865	2486.3	Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange CrystEngComm, 2025, 27, 5003-5009
7250669	CIF	C58 H52 Cl12 N4 O10	P 1 21/c 1	9.3975; 23.0975; 27.7307 90; 97.683; 90	5965.2	Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange CrystEngComm, 2025, 27, 5003-5009
7250670	CIF	C30 H33 N12 O15 Zn2	P -1	9.7937; 14.0371; 15.0676 95.549; 101.064; 109.809	1883.1	Chaudhary, Palak; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder Cu- and Zn-based 1D MOFs as hosts to encapsulate Eu(iii) for tuning white light emission CrystEngComm, 2025, 27, 5819-5829
7250671	CIF	C15 H15 Cu N6 O7	P 1 21/n 1	9.848; 6.9721; 26.2496 90; 95.371; 90	1794.42	Chaudhary, Palak; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder Cu- and Zn-based 1D MOFs as hosts to encapsulate Eu(iii) for tuning white light emission CrystEngComm, 2025, 27, 5819-5829
7250672	CIF	Al0.6 K0.593 O4.04 Si1.4	F d -3 m :2	24.8816; 24.8816; 24.8816 90; 90; 90	15404	Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis 3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite CrystEngComm, 2025, 27, 5095-5099
7250673	CIF	C12 H12 Fe3 O16	P 63/m	13.6085; 13.6085; 12.7623 90; 90; 120	2046.82	Schumann, Erik; Störr, Bianca; Böhme, Uwe; Walter, Dominic; Mertens, Florian A method for controlled growth of large MIL-88A crystals CrystEngComm, 2025, 27, 5404-5412
7250674	CIF	C24 H18 N4	P 1 21/n 1	15.667; 10.207; 23.64 90; 101.832; 90	3700	Swathi Krishna, P. E.; Baiju, Hanock; Hariharan, Mahesh Thermally Activated Delayed Fluorescence in Aminoacene-linked Phenanthroline Physical Chemistry Chemical Physics, 2025
7250675	CIF	C96 H70 N12 O2	C 1 2/c 1	21.342; 16.508; 22.533 90; 104.29; 90	7693	Swathi Krishna, P. E.; Baiju, Hanock; Hariharan, Mahesh Thermally Activated Delayed Fluorescence in Aminoacene-linked Phenanthroline Physical Chemistry Chemical Physics, 2025
7250676	CIF	C11 H9 N4 O2.5	F d d 2	19.939; 57.66; 3.7759 90; 90; 90	4341	Fufa, Tesfa Oluma; Ma, Hongwei; Ayub, Ali R.; Nabat, Karim Y.; Khan, Yaqoot; Li, Hui Zinc(ii) ion detection and fluorescence emission properties of a diaminomaleonitrile-derived unsymmetrical Schiff base ligand RSC Advances, 2025, 15, 24192-24201
7250677	CIF	C35 H32 N2 O4	P -1	8.743; 11.8023; 15.3997 74.888; 83.416; 74.21	1474.58	Nayak, Kalinga H.; Jijin, Robert K.; Babu, Beneesh P. Synthesis of 5-(pyrazol-4-yl) pentanoic acids and 4-(pyrazol-4-yl) butanoic acids via a cascade annulation/ring-opening reaction between hydrazone and dienone RSC Advances, 2025, 15, 24137-24141
7250678	CIF	C24 H22 N O2 P	P 1 21/n 1	11.5363; 12.0675; 14.5536 90; 102.115; 90	1980.95	Chang, Yunong; Bian, Fangyu; Guo, Jiefei; Li, Miao-Miao; Ding, Wei Photoinduced cobaloxime catalysis enabled dehydrogenative C2-phosphinylation of bicyclo[1.1.0]butanes to access phosphorylated cyclobutenes RSC Advances, 2025, 15, 24053-24057
7250679	CIF	C30 H34 Cl2 Hg N4 O S3	P -1	9.2166; 13.6839; 13.696 74.558; 76.599; 79.748	1607.14	Velmurugan, Priyanka; Kanniyappan, Poovarasan; Ghatak, Tapas Beckmann rearrangement of ketoximes for accessing amides and lactams promoted by a perimidine-2-thione supported Hg(ii) complex: a mechanistic perception RSC Advances, 2025, 15, 24317-24330
7250680	CIF	C36 H24 O4	P 1 21 1	7.9745; 12.9911; 13.0553 90; 104.833; 90	1307.43	Temel, Merve; Yildiz, Gizem; Ceyhan, Kaan Berkay; Alkan, Fahri; Şahin, Onur; Türkmen, Yunus E. Photochemical [2 + 2] cycloadditions of naphthalene acrylic acids: templated and untemplated photoreactivity, selective homo/heterodimerizations, and conformational analysis RSC Advances, 2025, 15, 24544-24556
7250681	CIF	C36 H24 O4	P 1 21/n 1	8.8325; 21.7745; 13.8399 90; 102.856; 90	2595	Temel, Merve; Yildiz, Gizem; Ceyhan, Kaan Berkay; Alkan, Fahri; Şahin, Onur; Türkmen, Yunus E. Photochemical [2 + 2] cycloadditions of naphthalene acrylic acids: templated and untemplated photoreactivity, selective homo/heterodimerizations, and conformational analysis RSC Advances, 2025, 15, 24544-24556
7250682	CIF	C12 H28 N6 O7	P 21 21 21	8.7794; 10.2396; 20.7518 90; 90; 90	1865.54	Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization CrystEngComm, 2025, 27, 5312-5318
7250683	CIF	H4 N6 O	P 1 21/c 1	3.7631; 14.7655; 7.6847 90; 96.582; 90	424.18	Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization CrystEngComm, 2025, 27, 5312-5318
7250684	CIF	C3 H2 I N3 O2	P -1	8.9073; 16.8666; 20.2753 67.857; 87.035; 77.872	2757.2	Li, Cong; Lu, Zu-jia; Zhang, Chao; Xu, Mei-qi; Zhao, Bin-shan; Yu, Qi-yao; Zhang, Jian-guo Noncovalent synergistic-directed crystallization (NSDC): a halogen engineering strategy for multifunctional energetic crystals CrystEngComm, 2025, 27, 5346-5355
7250685	CIF	C8 H6 F2 N4 O2	P 1 21/c 1	6.84; 18.3788; 7.3602 90; 99.49; 90	912.6	Li, Cong; Lu, Zu-jia; Zhang, Chao; Xu, Mei-qi; Zhao, Bin-shan; Yu, Qi-yao; Zhang, Jian-guo Noncovalent synergistic-directed crystallization (NSDC): a halogen engineering strategy for multifunctional energetic crystals CrystEngComm, 2025, 27, 5346-5355
7250686	CIF	C14 H11 N O5 U	P n 21 a	8.4393; 9.9752; 16.3986 90; 90; 90	1380.49	Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups CrystEngComm, 2025, 27, 5603-5612
7250687	CIF	C72 H54 N4 O30 U5	P -1	10.7194; 13.6309; 14.1063 66.313; 70.931; 80.904	1783.07	Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups CrystEngComm, 2025, 27, 5603-5612
7250688	CIF	C15 H13 N3 O10 U	P -1	9.1929; 9.9213; 10.3415 78.599; 83.835; 82.331	913.1	Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups CrystEngComm, 2025, 27, 5603-5612
7250689	CIF	C42 H36 N6 O18 U2	C 1 2/c 1	28.6995; 9.0816; 19.7705 90; 119.402; 90	4489.2	Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups CrystEngComm, 2025, 27, 5603-5612
7250690	CIF	C56 H44 N4 O14 U2	P 1 21/c 1	17.339; 7.1155; 19.8403 90; 99.829; 90	2411.9	Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups CrystEngComm, 2025, 27, 5603-5612
7250691	CIF	C46 H34 N2 O22 U4	P -1	12.9936; 14.0664; 14.0763 100.371; 96.142; 95.899	2496.5	Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups CrystEngComm, 2025, 27, 5603-5612
7250692	CIF	C12 H8 N4 O11.2 Zn	P 42/m m c	13.2864; 13.2864; 7.2865 90; 90; 90	1286.27	Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization Green Chemistry, 2025, 27, 10218-10233
7250693	CIF	C12 H8 N4 O0.5 Zn	I 41 2 2	16.3434; 16.3434; 12.5154 90; 90; 90	3342.95	Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization Green Chemistry, 2025, 27, 10218-10233
7250694	CIF	C12 H8 N4 Ni O2	I m m a	22; 6.93; 14.76 90; 90; 90	2250.3	Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization Green Chemistry, 2025, 27, 10218-10233
7250695	CIF	C7 H10 I N	P 1 21/c 1	13.7854; 19.6358; 10.1873 90; 109.428; 90	2600.6	Afri, Michal; Gottlieb, Hugo E.; Fridman, Natalia; Saady, Abed An NMR insight into the solvatochromic behaviour of Brooker's merocyanine dyes RSC Advances, 2025, 15, 25436-25440
7250696	CIF	C14 H16 I N O	P 1 21/n 1	7.3941; 10.5533; 17.659 90; 96.31; 90	1369.6	Afri, Michal; Gottlieb, Hugo E.; Fridman, Natalia; Saady, Abed An NMR insight into the solvatochromic behaviour of Brooker's merocyanine dyes RSC Advances, 2025, 15, 25436-25440
7250697	CIF	C80 H76 N10 O27 Zn4	I 41/a :2	25.8779; 25.8779; 11.7846 90; 90; 90	7891.7	You, Li-Xin; Wang, Xin-Yu; Li, Jin-Rong; Guo, Jie; Xiong, Gang; ding, Fu; Sun, Ya-Guang Transformation of carbon dioxide catalyzed using an N-heterocyclic carbene copper(i)-embedded metal–organic framework CrystEngComm, 2025, 27, 5625-5632
7250698	CIF	C20 H30 O4	P 21 21 21	12.0825; 12.7004; 12.9052 90; 90; 90	1980.3	Su, Wan-Bai; Hou, Xiao-Meng; Zhang, Ling; Yan, Li; Tang, Zhi-Yang; Yu, Yang; Liu, Jin-Song; Sun, Yun-Peng; Wang, Guo-Kai Muhenrins A–C, pimarane-type diterpenoids from Munronia henryi RSC Advances, 2025, 15, 25542-25547
7250699	CIF	C48 H34 Cl6 Dy N4 O5 P	P 1 21/c 1	24.367; 9.7487; 20.9451 90; 108.1; 90	4729.2	Zhang, Kun-Hua; He, Zhi; Huang, Long; Yu, Xing-Yi; Zhao, Bingshan; Yang, Jiong; Shao, Dong Engineering dysprosium(iii) single-ion magnets via modular synthesis with strongly axial ligands CrystEngComm, 2025, 27, 5662-5668
7250700	CIF	C48 H34 Cl6 Dy N4 O5 Si	P 1 21/c 1	24.347; 9.7398; 20.919 90; 108.079; 90	4715.7	Zhang, Kun-Hua; He, Zhi; Huang, Long; Yu, Xing-Yi; Zhao, Bingshan; Yang, Jiong; Shao, Dong Engineering dysprosium(iii) single-ion magnets via modular synthesis with strongly axial ligands CrystEngComm, 2025, 27, 5662-5668
7250701	CIF	C203 H135 Co4 N48 O5 S8	P -1	12.463; 17.373; 21.406 101.92; 95.66; 101.39	4398.4	Sangrador-Pérez, Jorge; Jiménez-Hernández, Patricia; Hernández, Mar García; Sañudo, E. Carolina; Costa, Jose Sanchez; Resines-Urien, Esther Colorimetric and luminescent sensing of DMF by crystalline non-porous pyrene-based coordination compounds CrystEngComm, 2025, 27, 5286-5291
7250702	CIF	C23 H19 N3 O2 S	P 1 2/c 1	16.672; 5.8717; 20.995 90; 94.852; 90	2047.9	Kaur, Kamalpreet; Verma, Harkomal; Gangwar, Prabhakar; Dhiman, Monisha; Jaitak, Vikas Design, Synthesis and Biological Evaluation of Novel bis (indolyl)-Tetrazine Derivatives as Anti-Breast Cancer Agents RSC Medicinal Chemistry, 2025
7250703	CIF	C34 H52 N10 Ni O4 S2	P 1 n 1	14.5393; 7.7694; 17.4897 90; 94.017; 90	1970.81	Gu, Yu-Hao; Xu, Xinyu; Zhu, Chenyu; Luo, Rengan; Yuan, Shuai Stepwise assembly of Ni–N2S2 catalytic sites and porphyrin photosensitizers in a metal–organic framework for bioinspired photocatalysis CrystEngComm, 2025, 27, 5841-5847
7250704	CIF	C14 H17 N2 O9 Zn	C 1 2/c 1	19.9774; 11.3313; 8.0463 90; 109.438; 90	1717.62	Shabangu, Samuel M.; Eaby, Alan C.; Croitor, Lilia; Bezrukov, Andrey A.; Zaworotko, Michael J. Water vapour sorption properties of a family of square lattice topology porous coordination networks. CrystEngComm, 2025, 27, 5669-5675
7250705	CIF	C14 H18 N2 O8 Zn	C 1 2/c 1	19.654; 11.4262; 7.961 90; 112.118; 90	1656.2	Shabangu, Samuel M.; Eaby, Alan C.; Croitor, Lilia; Bezrukov, Andrey A.; Zaworotko, Michael J. Water vapour sorption properties of a family of square lattice topology porous coordination networks. CrystEngComm, 2025, 27, 5669-5675
7250706	CIF	C10 H18 Cl4 N4 Zn	P -1	8.6985; 12.5843; 15.8735 84.8; 79.432; 88.07	1700.82	Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J. Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites CrystEngComm, 2025, 27, 5743-5751
7250707	CIF	C8 H14 Cl4 N4 Zn	P 1 21/n 1	12.9534; 8.1094; 14.0848 90; 91.692; 90	1478.88	Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J. Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites CrystEngComm, 2025, 27, 5743-5751
7250708	CIF	C21 H18 O S2	P 1 21/n 1	11.7103; 9.7878; 15.3735 90; 95.455; 90	1754.1	Yuan, Yong; Bai, Chunyan; Tao, Yuyan; Zhang, Ya-Nan; Bao, Xiazhen; Ji, Dongsheng; Wang, Liwei; Qi, Xiaotian; Huo, Congde Electrochemical ring-opening oxidation of aryl thianthrenium salts Green Chemistry, 2025, 27, 9777-9786
7250709	CIF	C36 H28 O4 S4	P n a 21	14.712; 9.99449; 21.0468 90; 90; 90	3094.7	Yuan, Yong; Bai, Chunyan; Tao, Yuyan; Zhang, Ya-Nan; Bao, Xiazhen; Ji, Dongsheng; Wang, Liwei; Qi, Xiaotian; Huo, Congde Electrochemical ring-opening oxidation of aryl thianthrenium salts Green Chemistry, 2025, 27, 9777-9786
7250710	CIF	C30 H52 F N5 O4	P 1 2/c 1	10.0669; 8.2576; 20.7 90; 91.747; 90	1720	Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability RSC Advances, 2025, 15, 26623-26631
7250711	CIF	C20 H16 N6 O6	P c a 21	38.788; 4.5685; 11.1314 90; 90; 90	1972.5	Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability RSC Advances, 2025, 15, 26623-26631
7250712	CIF	C20 H16 N6 O6	P 1 21/c 1	18.4683; 12.2887; 8.9483 90; 101.464; 90	1990.3	Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability RSC Advances, 2025, 15, 26623-26631
7250713	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.19055; 5.19055; 11.151 90; 90; 120	260.18	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250714	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.1506; 5.1506; 10.696 90; 90; 120	245.7	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250715	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.1237; 5.1237; 10.62 90; 90; 120	241.4	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250716	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.1774; 5.1774; 10.969 90; 90; 120	254.64	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250717	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.1364; 5.1364; 10.63 90; 90; 120	242.9	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250718	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.1636; 5.1636; 10.89 90; 90; 120	251.5	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250719	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.1218; 5.1218; 10.55 90; 90; 120	239.7	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250720	CIF	As4 Br H4 N O6	P 6/m m m	5.2708; 5.2708; 9.089 90; 90; 120	218.7	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250721	CIF	As4 Br H4 N O6	P 6/m m m	5.1888; 5.1888; 8.136 90; 90; 120	189.7	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250722	CIF	As4 Br H4 N O6	P 6/m m m	5.1471; 5.1471; 7.94 90; 90; 120	182.2	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250723	CIF	As4 Br H4 N O6	P 6/m m m	5.2685; 5.2685; 9.02 90; 90; 120	216.83	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250724	CIF	As4 Br H4 N O6	P 6/m m m	5.1738; 5.1738; 8.3 90; 90; 120	192.4	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250725	CIF	As4 H4 I N O6	P 6/m m m	5.163; 5.163; 8.04 90; 90; 120	185.6	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250726	CIF	As4 H4 I N O6	P 6/m m m	5.1848; 5.1848; 8.186 90; 90; 120	190.6	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250727	CIF	As4 H4 I N O6	P 6/m m m	5.2662; 5.2662; 8.629 90; 90; 120	207.2	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250728	CIF	As4 H4 I N O6	P 6/m m m	5.2896; 5.2896; 9.018 90; 90; 120	218.5	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250729	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.26981; 5.26981; 12.545 90; 90; 120	301.71	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250730	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.2676; 5.2676; 12.532 90; 90; 120	301.15	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250731	CIF	As4 Br H4 N O6	P 6/m m m	5.1698; 5.1698; 8 90; 90; 120	185.2	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250732	CIF	As4 Br H4 N O6	P 6/m m m	5.12; 5.12; 7.84 90; 90; 120	178	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250733	CIF	As4 Br H4 N O6	P 6/m m m	5.045; 5.045; 7.94 90; 90; 120	175	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250734	CIF	As4 H4 I N O6	P 6/m m m	5.191; 5.191; 8.058 90; 90; 120	188	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250735	CIF	As4 H4 I N O6	P 6/m m m	5.2057; 5.2057; 8.103 90; 90; 120	190.2	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250736	CIF	As4 H4 I N O6	P 6/m m m	5.1768; 5.1768; 8.138 90; 90; 120	188.9	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250737	CIF	As4 H4 I N O6	P 6/m m m	5.1794; 5.1794; 8.2 90; 90; 120	190.5	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250738	CIF	As4 H4 I N O6	P 6/m m m	5.217; 5.217; 8.24 90; 90; 120	194.2	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250739	CIF	As4 H4 I N O6	P 6/m m m	5.26449; 5.26449; 8.782 90; 90; 120	210.78	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250740	CIF	As4 H4 I N O6	P 6/m m m	5.1827; 5.1827; 8.14 90; 90; 120	189.4	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250741	CIF	As4 H4 I N O6	P 6/m m m	5.1683; 5.1683; 8.11 90; 90; 120	187.6	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250742	CIF	As4 H4 I N O6	P 6/m m m	5.2602; 5.2602; 8.527 90; 90; 120	204.3	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250743	CIF	As4 H4 I N O6	P 6/m m m	5.2037; 5.2037; 8.405 90; 90; 120	197.1	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250744	CIF	As4 H4 I N O6	P 6/m m m	5.28426; 5.28426; 9.181 90; 90; 120	222.02	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250745	CIF	As4 H4 I N O6	P 6/m m m	5.2909; 5.2909; 8.918 90; 90; 120	216.2	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250746	CIF	As4 H4 I N O6	P 6/m m m	5.28876; 5.28876; 9.354 90; 90; 120	226.59	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250747	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.2163; 5.2163; 11.509 90; 90; 120	271.2	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250748	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.2567; 5.2567; 12.24 90; 90; 120	292.91	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250749	CIF	As4 Cl2 H10 N2 O7	P 6/m m m	5.19615; 5.19615; 11.199 90; 90; 120	261.86	Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides CrystEngComm, 2025, 27, 5983-5988
7250750	CIF	C36 H32 N2 O16 Zn3	C 1 2/c 1	33.015; 9.738; 18.1598 90; 95.296; 90	5813.5	Zeeshan, Mohd; Khan, Mohammad Yasir; Shahid, M.; Khalid Parvez, Mohammad; Li, Xiang Tailored nanoporous composite of a bimetallic Zn-based MOF featuring two rare-metal geometries for organic dye sequestration: a mechanistic and kinetic insight into wastewater remediation CrystEngComm, 2025, 27, 5989-6008
7250751	CIF	C24 H22 O2	P 21 21 21	7.9481; 12.8917; 17.71 90; 90; 90	1814.6	Ahamad, Jarish; Khatua, Rashmi Ranjan; Khan, Faiz Ahmed Lewis acid-promoted intramolecular cyclization of ortho-prenylated chalcones: application to first total synthesis of (±) involucrasin C and its novel analogues RSC Advances, 2025, 15, 27254-27259
7250752	CIF	C48 H46 O6	P -1	5.9062; 14.2368; 23.85 104.078; 95.959; 95.907	1917.5	Ahamad, Jarish; Khatua, Rashmi Ranjan; Khan, Faiz Ahmed Lewis acid-promoted intramolecular cyclization of ortho-prenylated chalcones: application to first total synthesis of (±) involucrasin C and its novel analogues RSC Advances, 2025, 15, 27254-27259
7250753	CIF	C72 H46 O23 S8 Zn4	P 61	19.3314; 19.3314; 20.9001 90; 90; 120	6764	Wang, Yingchao; Miao, Xiaohe; Sun, Lei Morphological control of a metal–organic framework for single-crystal electronic device fabrication CrystEngComm, 2025, 27, 5848-5854
7250754	CIF	C84 H86 N4 O25 S8	P 1 21/n 1	9.144; 32.017; 18.9187 90; 91.622; 90	5536.5	Wang, Yingchao; Miao, Xiaohe; Sun, Lei Morphological control of a metal–organic framework for single-crystal electronic device fabrication CrystEngComm, 2025, 27, 5848-5854
7250755	CIF	C16 H37 Co Cu N10 O6	C 1 2/m 1	14.369; 12.237; 14.727 90; 94.916; 90	2580	Cai, Qi-Juan; Ma, Lu-Yao; Zhang, Kun-Hua; Dong, Fu-Wan; Sun, Ao-Na; Yang, Jiong; Shao, Dong A highly hydrogen-bonded {Cu2Co} cyanide complex exhibiting high room-temperature proton conduction CrystEngComm, 2025, 27, 5788-5792
7250756	CIF	C15.75 H18.25 N5.75 O8.75 Zn	P 62 2 2	32.44; 32.44; 7.5934 90; 90; 120	6920.4	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250757	CIF	C18.84 H15.84 N3.82 O4.92 Zn	P 62 2 2	32.499; 32.499; 7.7152 90; 90; 120	7057	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250758	CIF	C45.62 H63.17 N9.92 O9.92 Zn	P 42/n :2	27.5833; 27.5833; 14.4559 90; 90; 90	10998.6	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250759	CIF	C47.88 H69.12 N10.38 O13.75 Zn	P 1 21/n 1	18.5503; 14.385; 22.7569 90; 110.553; 90	5686.06	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250760	CIF	C13.71 H11.42 I1.42 N3 O3.25 Zn	P 62 2 2	32.48; 32.48; 7.692 90; 90; 120	7027.5	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250761	CIF	C18.25 H21.55 N4.05 O4.3 Zn	P 62 2 2	32.482; 32.482; 7.6302 90; 90; 120	6971.9	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250762	CIF	C20.33 H16.42 N3.92 O5.08 Zn	P 64 2 2	32.282; 32.282; 7.5334 90; 90; 120	6799	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250763	CIF	C19.67 H24.67 N4.33 O4.58 Zn	P 62 2 2	32.2989; 32.2989; 7.56433 90; 90; 120	6834	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250764	CIF	C61 H67 N21 O31 Zn4	P 62 2 2	32.347; 32.347; 7.5375 90; 90; 120	6830.1	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250765	CIF	C13.63 H11.25 I1.25 N3 O3.25 Zn	P 62 2 2	32.3158; 32.3158; 7.5571 90; 90; 120	6834.6	Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L. Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control RSC Advances, 2025, 15, 27531-27543
7250766	CIF	C23 H22 I N O6 S	P 1 21/c 1	8.0223; 29.704; 10.4353 90; 107.35; 90	2373.5	Sivanantham, Mathiyazhagan; Jacob Stanley, Jenis; Muthu, Kesavan; Velmathi, Sivan; Senadi, Gopal Chandru; Ramasamy, Mohankumar Radical cascade cyclization of amino acid-tethered 1,6-enynones with sulfonyl hydrazides for N-terminal modification: synthesis of functionalized succinimide derivatives RSC Advances, 2025, 15, 27486-27492
7250767	CIF	Al57.6 K56.27802 O389.0341 Si134.4	F d -3 m :2	24.9634; 24.9634; 24.9634 90; 90; 90	15556.5	Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis 3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite CrystEngComm, 2025, 27, 5095-5099
7250768	CIF	Al0.6 K0.593 O4.04 Si1.4	F d -3 m :2	24.8816; 24.8816; 24.8816 90; 90; 90	15404	Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis 3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite CrystEngComm, 2025, 27, 5095-5099
7250769	CIF	C42 H40 N2 O2	P 1 21/c 1	7.5109; 33.5396; 25.1881 90; 92.803; 90	6337.61	Wang, Ruixin; Yang, Puxi; Chen, Huizhi; Lan, Songming; Li, Haoyu; Fan, Wei; Gao, Guangpeng; Li, Xiaofang Effects of diphenyl-vinyl-substituted diketopyrrolopyrrole isomers on stacking and luminescence. RSC advances, 2025, 15, 23681-23686
7250770	CIF	C51 H57 Cl3 N2 O2	P 1 21/n 1	29.8626; 9.882; 31.4686 90; 107.653; 90	8849.2	Wang, Ruixin; Yang, Puxi; Chen, Huizhi; Lan, Songming; Li, Haoyu; Fan, Wei; Gao, Guangpeng; Li, Xiaofang Effects of diphenyl-vinyl-substituted diketopyrrolopyrrole isomers on stacking and luminescence. RSC advances, 2025, 15, 23681-23686
7250771	CIF	C21 H20 N O	P 1 21/c 1	14.8338; 8.9317; 12.4283 90; 98.816; 90	1627.18	Wang, Ruixin; Yang, Puxi; Chen, Huizhi; Lan, Songming; Li, Haoyu; Fan, Wei; Gao, Guangpeng; Li, Xiaofang Effects of diphenyl-vinyl-substituted diketopyrrolopyrrole isomers on stacking and luminescence. RSC advances, 2025, 15, 23681-23686
7250772	CIF	C36 H60 N14	R -3 :H	20.5422; 20.5422; 7.9574 90; 90; 120	2908	Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo π-Stacked organic frameworks with captured ammonia for benzamide synthesis CrystEngComm, 2025, 27, 6074-6078
7250773	CIF	C10 H12 N4 O2	P 1 21/c 1	9.9196; 4.7031; 11.861 90; 96.888; 90	549.36	Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo π-Stacked organic frameworks with captured ammonia for benzamide synthesis CrystEngComm, 2025, 27, 6074-6078
7250774	CIF	C12 H12 N2 O	P n a 21	9.2232; 14.7495; 7.6284 90; 90; 90	1037.75	Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo π-Stacked organic frameworks with captured ammonia for benzamide synthesis CrystEngComm, 2025, 27, 6074-6078
7250775	CIF	C14 H16 N2	I m a 2	7.6005; 18.3331; 8.5191 90; 90; 90	1187.1	Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo π-Stacked organic frameworks with captured ammonia for benzamide synthesis CrystEngComm, 2025, 27, 6074-6078
7250776	CIF	C28 H28 Cd Cl2 N12 O10	P 1 21/n 1	8.422; 15.067; 13.735 90; 98.15; 90	1725.3	Ebrahimi, Bahare; Notash, Behrouz Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension CrystEngComm, 2025, 27, 5889-5900
7250777	CIF	C20 H28 Cd Cl2 N6 O12	P -1	8.6491; 9.1342; 9.599 88.5; 76.85; 72.1	701.9	Ebrahimi, Bahare; Notash, Behrouz Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension CrystEngComm, 2025, 27, 5889-5900
7250778	CIF	C24 H20 Cd Cl2 N12 O10	P -1	7.6679; 8.6057; 11.831 90.53; 97.08; 99.36	764.1	Ebrahimi, Bahare; Notash, Behrouz Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension CrystEngComm, 2025, 27, 5889-5900
7250779	CIF	C26 H23 Cl O2 Si	P 1 21/c 1	10.2217; 25.507; 9.3872 90; 110.477; 90	2292.8	Gao, Liuzhou; Wen, Yan; Sun, Yan; Sun, Yuxin; Hu, Jingyi; Wang, Shenglong; Li, Zhenxing; Han, Ying; Wang, Yidong Metal-free C(sp3)–Si activation enables regiocontrolled [4 + 2] cycloaddition to benzosilacycloethers Green Chemistry, 2025, 27, 10242-10249
7250780	CIF	C26 H19 F3 N2 O5	P 1 21/c 1	12.3335; 8.966; 20.5471 90; 99.799; 90	2239	Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study CrystEngComm, 2025, 27, 6155-6162
7250781	CIF	C26 H17 Cl2 F3 N2 O4 S	P 1 21/n 1	8.4801; 19.1845; 14.4828 90; 93.598; 90	2351.5	Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study CrystEngComm, 2025, 27, 6155-6162
7250782	CIF	C22 H17 N3 O5 S	P -1	9.6442; 10.376; 11.0944 117.344; 104.347; 90.546	945.53	Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study CrystEngComm, 2025, 27, 6155-6162
7250783	CIF	C23 H20 N4 O4 S	P n a 21	17.4671; 5.1768; 21.844 90; 90; 90	1975.2	Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study CrystEngComm, 2025, 27, 6155-6162
7250784	CIF	C43 H38.5 O6.5	C 1 2 1	18.4127; 10.4885; 36.6054 90; 98.566; 90	6990.4	Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations RSC Advances, 2025, 15, 28063-28074
7250785	CIF	C41 H32 Cl2 O5	P 1 21 1	13.3609; 7.477; 17.2879 90; 90.927; 90	1726.8	Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations RSC Advances, 2025, 15, 28063-28074
7250786	CIF	C41 H32 Cl2 O5	P 1 21 1	13.3491; 7.4684; 17.3178 90; 90.917; 90	1726.3	Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations RSC Advances, 2025, 15, 28063-28074
7250787	CIF	C42 H34 O7	P -1	10.4163; 12.2293; 15.1051 90.877; 106.567; 112.991	1680.19	Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations RSC Advances, 2025, 15, 28063-28074
7250788	CIF	C21 H16 N4 O2	P 1 21/c 1	14.613; 10.293; 11.665 90; 94.435; 90	1749.3	Song, Yu-Man; Wang, Li-Sheng; Zhou, You; Tang, Yong-Xing; Wu, Chun-Yan; Wu, Yan-Dong; Wu, An-Xin I2-DMSO mediated multi-component cascade cyclization to construct pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6-one skeleton RSC Advances, 2025, 15, 28280-28284
7250789	CIF	C16 H9 Br Mn N3 O3	P 1 21/c 1	15.124; 14.3822; 7.1663 90; 102.285; 90	1523.1	Khaled, Rabaa M.; Radacki, Krzysztof; Mostafa, Gamal A. E.; Ali, Essam A.; Shehab, Ola R.; Mansour, Ahmed M. Light-mediated CO release from a tricarbonyl manganese(i) complex with a bidentate quinoxaline ligand RSC Advances, 2025, 15, 28642-28650
7250790	CIF	C45 H38 Br2 F4 N2 Ni	C 1 c 1	24.453; 11.045; 16.646 90; 120.11; 90	3889.2	Zhu, Dongzhi; Zhang, Qiuyue; Jia, Dedong; Ma, Yanping; Sun, Wen-Hua 2-[2,6-Bis(4,4′-difluorobenzhydryl)-4-methylphenylimino]-3-aryliminobutylnickel complex precatalysts tuning polyethylene elastomers with different molecular weights RSC Advances, 2025, 15, 28601-28612
7250791	CIF	C63 H94 Mg N4 O2	P b c n	12.4474; 20.5344; 22.8703 90; 90; 90	5845.6	Quek, Timothy; Saeteaw, Thonthun; Pongpanit, Tanyawan; Namuangruk, Supawadee; Phomphrai, Khamphee Homoleptic Magnesium and Calcium Complexes Supported by Constrained Reduced Schiff Base Ligand for Lactide Polymerisation: DFT Analysis of Lactide/Ligand Interactions Physical Chemistry Chemical Physics, 2025
7250792	CIF	C63 H94 Ca N4 O2	P b c n	12.984; 20.151; 22.641 90; 90; 90	5923.8	Quek, Timothy; Saeteaw, Thonthun; Pongpanit, Tanyawan; Namuangruk, Supawadee; Phomphrai, Khamphee Homoleptic Magnesium and Calcium Complexes Supported by Constrained Reduced Schiff Base Ligand for Lactide Polymerisation: DFT Analysis of Lactide/Ligand Interactions Physical Chemistry Chemical Physics, 2025
7250793	CIF	C43 H30 N2	P 1 21/n 1	9.8775; 28.0037; 11.8519 90; 112.566; 90	3027.32	Loghina, Liudmila; Machotova, Jana; Svoboda, Roman; Houdek, Jakub; Kohl, Miroslav; Ruzickova, Zdena; Jambor, Roman; Vlcek, Miroslav Photoluminescent phenanthroimidazole derivatives as covalently linked UV stabilizers for latex coatings RSC Advances, 2025, 15, 28827-28840
7250794	CIF	C31 H22 N2	P 1 21/c 1	9.7069; 10.1507; 22.459 90; 99.267; 90	2184.04	Loghina, Liudmila; Machotova, Jana; Svoboda, Roman; Houdek, Jakub; Kohl, Miroslav; Ruzickova, Zdena; Jambor, Roman; Vlcek, Miroslav Photoluminescent phenanthroimidazole derivatives as covalently linked UV stabilizers for latex coatings RSC Advances, 2025, 15, 28827-28840
7250795	CIF	C17 H16 N2 O2	C 1 2/c 1	20.6773; 8.90513; 16.45657 90; 99.3758; 90	2989.73	Sah, Neeraj K.; Kumar, Krishna; Bhattacharya, Subrato; Pramanik, Tanay; Roy, Tanmoy; Garai, Somenath Unveiling the catalytic potential of silicomolybdic acid in crafting diverse biologically relevant organic compounds RSC Advances, 2025, 15, 28783-28804
7250796	CIF	C25 H30 O5	P b c a	20.5603; 10.1414; 21.5355 90; 90; 90	4490.37	Sah, Neeraj K.; Kumar, Krishna; Bhattacharya, Subrato; Pramanik, Tanay; Roy, Tanmoy; Garai, Somenath Unveiling the catalytic potential of silicomolybdic acid in crafting diverse biologically relevant organic compounds RSC Advances, 2025, 15, 28783-28804
7250797	CIF	C23 H20 F3 N O	P -1	9.711; 10.465; 11.661 73.798; 73.558; 62.944	996.4	Lu, Meiqun; Chen, Kailun; Cai, Hu Electrochemical intermolecular trifluoromethylimination of alkenes Green Chemistry, 2025, 27, 10994-10999
7250798	CIF	C40 H95 Li4 Mo8 N30 O34.5	P -1	13.3591; 14.9668; 15.2348 90.435; 115.999; 107.431	2577.61	Liu, Cheng; Xie, Zhen-Lang; Dong, Xin; Jin, Wan-Ting; Lian, Yi-Xin; Zhou, Zhao-Hui Construction of octanuclear polyoxomolybdenum(v)-based porous materials with lithium additives RSC Advances, 2025, 15, 30062-30070
7250799	CIF	C32 H126 Li4 Mo8 N24 O57	C 1 2/c 1	23.6874; 19.52258; 23.33101 90; 106.767; 90	10330.5	Liu, Cheng; Xie, Zhen-Lang; Dong, Xin; Jin, Wan-Ting; Lian, Yi-Xin; Zhou, Zhao-Hui Construction of octanuclear polyoxomolybdenum(v)-based porous materials with lithium additives RSC Advances, 2025, 15, 30062-30070
7250800	CIF	C32 H52 Mo8 N24 O20	C 1 2/m 1	29.8259; 46.5268; 24.3732 90; 94.152; 90	33734	Liu, Cheng; Xie, Zhen-Lang; Dong, Xin; Jin, Wan-Ting; Lian, Yi-Xin; Zhou, Zhao-Hui Construction of octanuclear polyoxomolybdenum(v)-based porous materials with lithium additives RSC Advances, 2025, 15, 30062-30070
7250801	CIF	C40 H137 Li4 Mo8 N30 O55.5	P -1	13.3561; 14.9592; 27.3998 81.012; 89.971; 72.593	5153.3	Liu, Cheng; Xie, Zhen-Lang; Dong, Xin; Jin, Wan-Ting; Lian, Yi-Xin; Zhou, Zhao-Hui Construction of octanuclear polyoxomolybdenum(v)-based porous materials with lithium additives RSC Advances, 2025, 15, 30062-30070
7250802	CIF	C16 H22 B D F4 N2	P 21 21 21	7.1533; 13.3033; 17.4216 90; 90; 90	1657.88	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250803	CIF	C14 H19 Cl N2 O4	P -1	8.1255; 8.1953; 12.3764 84.836; 73.423; 78.518	773.61	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250804	CIF	C14 H15 B Br4 F4 N2	P 1 21/c 1	13.7546; 9.5537; 14.4904 90; 90.66; 90	1904.02	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250805	CIF	C18 H31 Br2 N3	P 1 21/n 1	12.8442; 8.7712; 19.1298 90; 107.671; 90	2053.46	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250806	CIF	C43 H62 B2 F8 N4 S8	P -1	12.0536; 14.2355; 15.5369 71.122; 78.938; 80.513	2460.49	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250807	CIF	C18 H20 B D7 F4 N2	P n m a	12.1978; 11.4803; 12.6584 90; 90; 90	1772.61	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250808	CIF	C15 H19 B Cl2 F4 N2 S2	C 1 2/m 1	11.3768; 12.6149; 13.7199 90; 97.067; 90	1954.08	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250809	CIF	C19 H27 N3 S	P n m a	12.0279; 11.5143; 12.8178 90; 90; 90	1775.17	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250810	CIF	C14 H17 B F4 N2 Se2	P 1 21/c 1	14.7071; 7.754; 15.6954 90; 111.348; 90	1667.1	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250811	CIF	C16 H23 B F4 N2 S2	P -1	7.7857; 8.4721; 14.0062 86.404; 76.855; 81.59	889.57	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250812	CIF	C18 H27 B F4 N2 S2	P -1	10.0876; 10.7862; 11.0225 106.729; 108.33; 104.687	1009.18	Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173
7250813	CIF	C12 H9 F N4 O2	P 1 21/c 1	4.1879; 19.4145; 13.7194 90; 97.095; 90	1106.93	Zhang, Xiaofeng; Nallapati, Sashirekha; Johnson, Shea; Chen, Xian; Lim, Jongwon A PASE synthesis of tetrazoloquinolines and its applications in the syntheses of bioactive compounds Green Chemistry, 2025, 27, 10980-10987
7250814	CIF	C12 H9 F N4 O2	P -1	4.6263; 12.8003; 20.056 104.633; 95.726; 94.206	1137.41	Zhang, Xiaofeng; Nallapati, Sashirekha; Johnson, Shea; Chen, Xian; Lim, Jongwon A PASE synthesis of tetrazoloquinolines and its applications in the syntheses of bioactive compounds Green Chemistry, 2025, 27, 10980-10987
7250815	CIF	C9 H10 Cl3 N O Pd	P 1 21/c 1	15.338; 7.4785; 20.6528 90; 98.915; 90	2340.37	Khlifi, Houyem; Guesmi, Ahlem; Rabaaoui, Nejmeddine; Cherif, Mourad; Mhadhbi, Noureddine; El-Fattah, Wesam Abd; Ben Hamadi, Naoufel; Naïli, Houcine From molecular architecture to environmental action: a new palladium-based perovskite catalyst as a cathodic modifier for electro-Fenton degradation RSC Advances, 2025, 15, 30326-30338
7250816	CIF	C16 H14 F N O2	P 21 21 21	7.3027; 10.689; 17.559 90; 90; 90	1370.6	Fu, Han; Wang, Feixia; Wu, Ziyan; Xie, Xiaoyu; Zhang, Yicheng; Liu, Jie; Wang, Lei Tetrabutylammonium decatungstate-catalyzed hydroalkylation/alkoxylation of 3-methyleneisoindolin-1-ones with alcohols/ethers through hydrogen atom transfer process RSC Advances, 2025, 15, 30285-30289
7250817	CIF	C14 H8 N2 O8 Sr	C 1 2/c 1	15.7628; 11.1236; 8.4309 90; 99.61; 90	1457.52	Hayat, Mohd Umar; Khalid, Mohd; Kamal, Samrah; Shahid, M.; Ahmad, Musheer Fabrication of a 3D Sr-based metal–organic framework bearing ant topology for highly efficient iodine capture in solution and vapor phases CrystEngComm, 2025, 27, 6639-6651
7250818	CIF	C25 H18 Cl N O5	P -1	9.2235; 9.6756; 12.758 101.342; 99.504; 103.374	1059.2	Mishra, Gitanjali; Bobonga, Missa Saril; Islam, Khadimul; Chakraborty, Arundhuti; Thirupathi, Barla DABCO-catalysed highly diastereoselective synthesis of 1,3-indandione containing fully saturated spirocyclopentanes involving 2-(2′-ketoalkyl)-1,3-indandiones and nitrostyrenes RSC Advances, 2025, 15, 30768-30780
7250819	CIF	C21 H32 N O2 P S2	P 21 21 21	12.713; 12.93; 14.0951 90; 90; 90	2316.94	Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K. Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates CrystEngComm, 2025, 27, 6386-6396
7250820	CIF	C56 H56 O8 P4 Pb2 S8	P 1 21/n 1	10.3663; 23.2716; 13.824 90; 103.996; 90	3235.9	Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K. Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates CrystEngComm, 2025, 27, 6386-6396
7250821	CIF	C24.69 H24.37 Cl1.37 N O	P c a 21	11.3461; 16.6589; 23.3798 90; 90; 90	4419.1	Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles RSC Advances, 2025, 15, 30915-30920
7250822	CIF	C24 H21 N	P 1 21 1	11.5532; 6.4625; 13.2348 90; 107.991; 90	939.83	Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles RSC Advances, 2025, 15, 30915-30920
7250823	CIF	C24 H20 N2 O2	P 1 21/n 1	9.4802; 11.7086; 17.1437 90; 93.047; 90	1900.26	Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles RSC Advances, 2025, 15, 30915-30920
7250824	CIF	C24 H20 Br N	P -1	8.9769; 12.0076; 18.6847 77.854; 81.908; 80.281	1929.09	Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles RSC Advances, 2025, 15, 30915-30920
7250825	CIF	C24 H20 Br N	P -1	11.3261; 11.5715; 16.2185 86.402; 75.842; 76.186	2001.4	Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles RSC Advances, 2025, 15, 30915-30920
7250826	CIF	C34 H23 N O S	C 1 c 1	10.0521; 16.6181; 15.0137 90; 94.785; 90	2499.2	Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour CrystEngComm, 2025, 27, 6502-6507
7250827	CIF	C37 H23 N3 S	P -1	8.921; 9.4764; 16.5104 94.16; 92.552; 94.443	1386.15	Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour CrystEngComm, 2025, 27, 6502-6507
7250828	CIF	C34 H36 Cl I N2 O3	C 1 c 1	20.8023; 10.5888; 14.498 90; 105.375; 90	3079.2	Kozlenko, Anastasiia S.; Pugachev, Artem D.; Rostovtseva, Irina A.; Makarova, Nadezhda; Sazykina, Marina A.; Sazykin, Ivan S.; Karchava, Shorena K.; Klimova, Maria V.; Tkachev, Valery; Utenyshev, Andrey N.; Borodkin, Gennadii Sergeevich; Aldoshin, Sergey M.; Metelitsa, Anatoly V.; Ozhogin, Ilya V. The halogens in focus: the case of spiropyrans with elongated conjugation chain Physical Chemistry Chemical Physics, 2025
7250829	CIF	C40 H36 Co2 N12 O40 W10	P -1	10.665; 12.477; 15.956 105.86; 106.92; 103.27	1840	Li, Hua; Fu, Yaomei; Wu, Shuangxue; Liu, Li; Wang, Xinlong; Qin, Chao; Su, Zhong-Min Visible-light driven photoreduction of carbon dioxide to syngas with decatungstate-based metal-organic frameworks Physical Chemistry Chemical Physics, 2025
7250830	CIF	C22 H18 Co2 N5 O22 W5	P 1 21/n 1	14.292; 12.7209; 24.794 90; 97.725; 90	4466.8	Li, Hua; Fu, Yaomei; Wu, Shuangxue; Liu, Li; Wang, Xinlong; Qin, Chao; Su, Zhong-Min Visible-light driven photoreduction of carbon dioxide to syngas with decatungstate-based metal-organic frameworks Physical Chemistry Chemical Physics, 2025
7250831	CIF	C46 H42 Br2 N2 Ni	P 1 21/n 1	9.3737; 25.5882; 15.621 90; 92.459; 90	3743.34	Khalid, Areej; Mahmood, Qaiser; Razzaq, Ayesha; Ma, Yanping; Ren, Geng; Wang, Yizhou; Liang, Tongling; Sun, Wen-Hua High molecular weight polyethylene via the spatial proximity of benzosuberyl in iminopyridine nickel catalysts RSC Advances, 2025, 15, 31597-31608
7250832	CIF	C44 H38 Br2 N2 Ni	P 1 21/n 1	9.2626; 25.2521; 15.194 90; 95.533; 90	3537.32	Khalid, Areej; Mahmood, Qaiser; Razzaq, Ayesha; Ma, Yanping; Ren, Geng; Wang, Yizhou; Liang, Tongling; Sun, Wen-Hua High molecular weight polyethylene via the spatial proximity of benzosuberyl in iminopyridine nickel catalysts RSC Advances, 2025, 15, 31597-31608
7250833	CIF	C54 H52 B8 I10 O16	C 1 2/m 1	29.16; 9.848; 12.991 90; 103.43; 90	3629	Mandal, Koushik; Suresh, Ajay; Chopra, Deepak Quantitative Insights into the Role of Halogen and Triel Bonds in the formation of Isostructural Co-crystals of 4-iodophenyl boronic acid Physical Chemistry Chemical Physics, 2025
7250834	CIF	C32 H29 B4 I5 O8	C 1 2/m 1	26.8515; 9.8333; 15.7675 90; 108.688; 90	3943.7	Mandal, Koushik; Suresh, Ajay; Chopra, Deepak Quantitative Insights into the Role of Halogen and Triel Bonds in the formation of Isostructural Co-crystals of 4-iodophenyl boronic acid Physical Chemistry Chemical Physics, 2025
7250835	CIF	C214.5 H183 Cl10 F8 N16 O4 S10	P -1	20.0905; 20.3707; 29.595 68.47; 71.318; 79.525	10644.8	Kong, Jingyao; Zhu, Yufan; Li, Bowen; He, Dan; Zhao, Fuwen Investigation on the Structure-Performance Correlation in Y-series Electron Acceptor with Different Phenyl Alkyl Inner Side Chains Toward High-Efficiency Organic Solar Cells Physical Chemistry Chemical Physics, 2025
7250836	CIF	C21 H20 N6 O3 S	I 41/a :2	22.48035; 22.48035; 17.48441 90; 90; 90	8836.03	P, Dinesha; Naik, Shivakumar; D, Udayakumar; B. C, Revanasiddappa; Ranjan, Venkatesh; Veeranagaiah, Naveena S. Hydrazineyl-linked imidazole[1,2-a]pyrimidine-thiazole hybrids: design, synthesis, and in vitro biological evaluation studies RSC Advances, 2025, 15, 32477-32496
7250837	CIF	C15 H12 F9 K Mn O6	P n m a	13.4514; 13.7819; 10.8398 90; 90; 90	2009.55	Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols RSC Advances, 2025, 15, 32299-32308
7250838	CIF	C12 H7 F12 Mn N O5	P n m a	9.1029; 21.7344; 9.0051 90; 90; 90	1781.62	Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols RSC Advances, 2025, 15, 32299-32308
7250839	CIF	C30 H28 F18 Mn3 O14	P -1	10.769; 11.5144; 16.9696 85.497; 76.82; 84.015	2034.35	Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols RSC Advances, 2025, 15, 32299-32308
7250840	CIF	C10 H14 F6 Mn O7	P 1 21/c 1	10.9445; 6.9902; 21.9193 90; 102.495; 90	1637.2	Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols RSC Advances, 2025, 15, 32299-32308
7250841	CIF	C14 H12 F12 Mn O6	P 1 21/n 1	11.9426; 12.8936; 14.0015 90; 100.799; 90	2117.81	Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols RSC Advances, 2025, 15, 32299-32308
7250842	CIF	C18 H18 F12 Mn O6	P n m a	15.4825; 19.6279; 7.7219 90; 90; 90	2346.6	Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols RSC Advances, 2025, 15, 32299-32308
7250843	CIF	C14 H18 F6 Mn O6	P b c a	12.443; 13.5342; 21.9592 90; 90; 90	3698.1	Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols RSC Advances, 2025, 15, 32299-32308
7250844	CIF	C14 H12 F12 Mn O6	C 1 2/c 1	21.5361; 6.8132; 27.8521 90; 104.621; 90	3954.39	Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols RSC Advances, 2025, 15, 32299-32308
7250845	CIF	C62 H71 Cl3 Co2 F24 N8 O18	P 1 21/c 1	12.7086; 34.9069; 18.9598 90; 96.151; 90	8362.5	Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties CrystEngComm, 2025, 27, 6462-6472
7250846	CIF	C17 H14 N2 O8	P -1	8.4632; 9.8218; 10.1702 101.627; 93.54; 90.027	826.39	Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties CrystEngComm, 2025, 27, 6462-6472
7250847	CIF	C62 H71 Cl3 F24 N8 Ni2 O18	P 1 21/c 1	12.6913; 34.918; 18.906 90; 95.976; 90	8332.8	Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties CrystEngComm, 2025, 27, 6462-6472
7250848	CIF	C14 H9 F3 O	P 1 21/c 1	12.821; 8.643; 10.145 90; 98.224; 90	1112.6	Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides RSC Advances, 2025, 15, 32424-32430
7250849	CIF	C14 H10 Br F O	C 1 2/c 1	28.7831; 10.638; 8.1073 90; 99.183; 90	2450.6	Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides RSC Advances, 2025, 15, 32424-32430
7250850	CIF	C14 H9 Cl3 O	P 1 21/n 1	11.946; 8.9801; 12.6848 90; 99.683; 90	1341.39	Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides RSC Advances, 2025, 15, 32424-32430
7250851	CIF	C12 H18 Cl4 Fe0.2 N4 Zn0.8	P 1 21/c 1	8.0559; 14.7738; 15.7854 90; 101.783; 90	1839.1	Altalib, Rima; Ibrahmi, Imen; Ghoudi, Arafet; Znaidia, Sami; Rekik, Walid; Lhoste, Jerome; Oueslati, Abderrazek Structure–property relationships in tris(2-amino-5-methylpyridinium) hexabromobismuthate monohydrate with a focus on optical and electrical behavior for optoelectronics applications RSC Advances, 2025, 15, 32906-32918
7250852	CIF	C6 H7 I4 N Te	P 1 21/n 1	10.118; 12.748; 10.628 90; 93.894; 90	1367.7	Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4 CrystEngComm, 2025, 27, 6373-6380
7250853	CIF	C18 H32 Cl6 N2 Si2 Te	P 1 21/c 1	10.386; 11.375; 12.532 90; 101.156; 90	1452.6	Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4 CrystEngComm, 2025, 27, 6373-6380
7250854	CIF	C12 H17 Cl5 N2 O Te	P -1	7.0094; 8.4902; 15.6462 88.97; 86.6; 81.048	918.13	Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4 CrystEngComm, 2025, 27, 6373-6380
7250855	CIF	C64.41 H64.41 Cl1.22 Cr N8 Na O8	P 1	12.9467; 16.0849; 17.0355 63.553; 69.614; 71.15	2917.1	Dhifet, Mondher; Benzerroug, Nabil; Almutairi, Tahani M.; Alomari, Khadra B.; Tumanov, Nikolay; Issaoui, Noureddine Synthesis, spectroscopic properties, structural characterization, and computational studies of a new non-centrosymmetric hybrid compound: bis-cyanato-N chromium(iii) meso-arylporphyrin complex RSC Advances, 2025, 15, 33410-33426
7250856	CIF	C36 H31 B N2	P 1 21/n 1	11.4237; 10.4916; 23.34 90; 101.622; 90	2740	Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene RSC Advances, 2025, 15, 33531-33535
7250857	CIF	C36 H31 B N2	P 1 21/n 1	11.4488; 10.5125; 23.383 90; 101.81; 90	2754.7	Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene RSC Advances, 2025, 15, 33531-33535
7250858	CIF	C36 H31 B N2	P 1 21/n 1	11.5542; 10.6145; 23.5906 90; 102.906; 90	2820.1	Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene RSC Advances, 2025, 15, 33531-33535
7250859	CIF	C36 H31 B N2	P 1 21/n 1	11.5947; 10.6548; 23.6679 90; 103.405; 90	2844.3	Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene RSC Advances, 2025, 15, 33531-33535
7250860	CIF	C36 H31 B N2	P 1 21/n 1	11.4902; 10.566; 23.4778 90; 102.284; 90	2785.1	Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene RSC Advances, 2025, 15, 33531-33535
7250861	CIF	C36 H31 B N2	P 1 21/n 1	11.4651; 10.5281; 23.44 90; 102.002; 90	2767.5	Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene RSC Advances, 2025, 15, 33531-33535
7250862	CIF	C36 H31 B N2	P 1 21/n 1	11.5246; 10.5868; 23.5275 90; 102.595; 90	2801.5	Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene RSC Advances, 2025, 15, 33531-33535
7250863	CIF	C12 H15 N O5	P 21 21 21	5.9429; 11.8071; 18.0729 90; 90; 90	1268.15	Karthick, Subramani; Li, Bing-Xiang; Sridhar, Balasubramanian; Aya, Satoshi; Brahadeeswaran, Srinivasan Pyrrolidin-1-ium-2-carboxylate·4-hydroxybenzoic acid co-crystal: a novel phase-matchable acentric organic material for efficient second-harmonic generation CrystEngComm, 2025, 27, 6449-6461
7250864	CIF	C43 H8 Ag2 Fe N6	C c c m	14.3771; 22.028; 14.8097 90; 90; 90	4690.2	Remili, Yasmine; Nasimsobhan, Maryam; Turo-Cortés, Rubén; Vendier, Laure; Bartual-Murgui, Carlos; Molnár, Gábor; Bousseksou, Azzedine; Real Cabezos, José Antonio Raman scattering and X-ray diffraction study of the temperature- and pressure-induced multistep spin transition in the complex {FeII(AnPy)2[AgI(CN)2]2]}·NO2bz Physical Chemistry Chemical Physics, 2025
7250865	CIF	C43 H8 Ag2 Fe N6	C c c m	14.1333; 21.887; 14.5925 90; 90; 90	4514	Remili, Yasmine; Nasimsobhan, Maryam; Turo-Cortés, Rubén; Vendier, Laure; Bartual-Murgui, Carlos; Molnár, Gábor; Bousseksou, Azzedine; Real Cabezos, José Antonio Raman scattering and X-ray diffraction study of the temperature- and pressure-induced multistep spin transition in the complex {FeII(AnPy)2[AgI(CN)2]2]}·NO2bz Physical Chemistry Chemical Physics, 2025
7250866	CIF	C18 H27 Bi Cl6 N6	P -1	14.3578; 14.407; 14.4113 104.558; 104.407; 100.574	2696.6	Altalib, Rima; Ghoudi, Arafet; Tliha, Mohamed; Naouari, Raja; Rekik, Walid; Lhoste, Jerome; Oueslati, Abderrazek A zero-dimensional (C6H9N2)3[BiCl6] hybrid material: synthesis and structural, optical, and electrical conductivity RSC Advances, 2025, 15, 33946-33961
7250867	CIF	C14 H9 I	P 1 2 1	7.5797; 5.9809; 52.204 90; 91.697; 90	2365.5	Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems CrystEngComm, 2025, 27, 6735-6741
7250868	CIF	C15 H11 I O	P c a 21	6.1455; 7.4012; 28.5289 90; 90; 90	1297.61	Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems CrystEngComm, 2025, 27, 6735-6741
7250869	CIF	C14 H5 F4 I	P 1 21/n 1	12.9207; 5.0801; 19.1219 90; 94.046; 90	1252	Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems CrystEngComm, 2025, 27, 6735-6741
7250870	CIF	C45 H68 Co N O16	P 42/n m c :2	15.239; 15.239; 22.553 90; 90; 90	5237.4	Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks CrystEngComm, 2025, 27, 6894-6904
7250871	CIF	C82 H77 Co2 N2 O16	P 42/n m c :2	15.243; 15.243; 45.096 90; 90; 90	10478	Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks CrystEngComm, 2025, 27, 6894-6904
7250872	CIF	C123 H109 Co3 N9 O18	C 1 2/c 1	57.238; 19.7412; 23.0425 90; 109.198; 90	24588.8	Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks CrystEngComm, 2025, 27, 6894-6904
7250873	CIF	C144 H135 Co3 N12 O21	C 1 2/c 1	57.02; 20.59; 22.286 90; 108.37; 90	24831	Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks CrystEngComm, 2025, 27, 6894-6904
7250874	CIF	C62 H44 F12 N4	P -1	8.2; 18.575; 18.646 104.466; 93.783; 90.299	2743	Tang, Baolei; Yang, Xuesong; Chen, Donghe; Hu, Hanlin; Zhang, Hongyu Reversible mechanochromism and polarization modulation in an elastic organic crystal CrystEngComm, 2025, 27, 6606-6610
7250875	CIF	C8 H11 B F4 N2 O2	P 1 21 1	5.0698; 14.565; 14.099 90; 97.056; 90	1033.2	Wojtaś, Maciej; Gągor, Anna; Bdikin, Igor; Kopyl, Svitlana Crystal structure and piezoelectric properties of the final member of the pyridylalanine derivative series: [H-β-(3-pyridyl)-Ala-OH][BF4] CrystEngComm, 2025, 27, 6679-6686
7250876	CIF	C48 H72 Co2 N18 O51 P V0.5 W11.5	P 1	12.0693; 13.86; 16.1859 111.705; 96.855; 111.816	2229.56	Zhu, Yin-Hua; Yang, Jian-Bo; Zhou, Jiu Lin; Ji, Yong-Qi; Mei, Hua; Xu, Yan Chiral chlorophyll-inspired clusters steering electron transfer for enhanced CO2 photoreduction Green Chemistry, 2025, 27, 12778-12784
7250877	CIF	C25 H28 Cl Ir N2	P 1 21/c 1	15.9662; 10.4241; 13.3013 90; 93.245; 90	2210.23	Mamone, Salvatore; Floreani, Federico; Faramawy, Ahmed; Graiff, Claudia; Franco, Lorenzo; Ruzzi, Marco; Tubaro, Cristina; Stevanato, Gabriele (De)coding SABRE of [1-13C]Pyruvate Physical Chemistry Chemical Physics, 2025
7250878	CIF	C18 H38 Ce2 O31	P -1	10.88688; 10.93543; 15.2453 83.732; 85.3678; 84.0042	1789.85	Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I. Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework CrystEngComm, 2025, 27, 6797-6804
7250879	CIF	C52.989 H46.307 Ce4 N4.33 O37.33	P 1 21/n 1	14.8474; 26.6474; 17.9757 90; 112.784; 90	6557	Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I. Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework CrystEngComm, 2025, 27, 6797-6804
7250880	CIF	C52 H48 Au4 N4 S4	P 1 21/c 1	20.5871; 12.3929; 21.3684 90; 112.548; 90	5035.1	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250881	CIF	C17 H14 Au N S	R -3 :H	31.221; 31.221; 8.542 90; 90; 120	7210.81	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250882	CIF	C15 H14 Au N	P 1 21/c 1	11.3366; 18.9708; 12.8686 90; 110.132; 90	2598.48	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250883	CIF	C15 H14 Au N	P -1	10.1311; 11.8564; 17.3656 100.14; 98.615; 101.681	1973.27	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250884	CIF	C17 H14 Au N S	P 1 21/n 1	7.708; 19.172; 10.066 90; 93.112; 90	1485.3	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250885	CIF	C13 H12 Au N S	P 1 21/n 1	11.8718; 20.3094; 15.884 90; 99.929; 90	3772.4	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250886	CIF	C39 H36 Au3 N3 S3	P -1	9.9569; 11.6078; 17.3895 100.341; 97.326; 103.953	1887.9	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250887	CIF	C17 H14 Au N S2	P -1	9.081; 17.316; 18.171 114.577; 98.055; 102.895	2443.9	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250888	CIF	C51 H42 Au3 N3 S3	P -1	11.0862; 14.95; 15.372 64.989; 80.55; 79.057	2256.7	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250889	CIF	C13 H12 Au N S	P -1	11.6478; 21.7736; 25.2892 113.938; 100.457; 90.668	5738.7	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031
7250890	CIF	C27 H31 B Br2 F2 N2 O5	P 1 c 1	9.5353; 9.0085; 33.0864 90; 96.222; 90	2825.3	Schwarze, Thomas; Al Akrami, Mazen; Heinrich, Julian; Hergl, Vinja; Sperlich, Eric; Kelling, Alexandra; Sprenger, Tobias; Jahn, Nicolas; Klamroth, Tillmann; Kulak, Nora A sodium ion-selective photosensitizer: Dibrominated F-BODIPY as a fluorescence imaging and therapeutic agent Physical Chemistry Chemical Physics, 2025
7250891	CIF	C27 H31 B Br2 Cl F2 N2 Na O9	P -1	8.3777; 10.8636; 18.1118 106.347; 96.538; 98.274	1544.47	Schwarze, Thomas; Al Akrami, Mazen; Heinrich, Julian; Hergl, Vinja; Sperlich, Eric; Kelling, Alexandra; Sprenger, Tobias; Jahn, Nicolas; Klamroth, Tillmann; Kulak, Nora A sodium ion-selective photosensitizer: Dibrominated F-BODIPY as a fluorescence imaging and therapeutic agent Physical Chemistry Chemical Physics, 2025
7250892	CIF	C26 H36 Cl2 N8 O12 Re2 S0	P -1	10.6588; 12.0358; 15.5323 79.51; 84.809; 66.686	1798.94	Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands RSC Advances, 2025, 15, 34635-34642
7250893	CIF	C19 H15 Br N5 O5 Re	P 1 21/c 1	15.19; 10.7654; 13.4702 90; 108.661; 90	2086.93	Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands RSC Advances, 2025, 15, 34635-34642
7250894	CIF	C24 H31 Br N5 O7 Re	P b c a	18.9342; 10.194; 28.1709 90; 90; 90	5437.4	Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands RSC Advances, 2025, 15, 34635-34642
7250895	CIF	C20 H16 O4	P -1	5.6698; 10.893; 13.585 72.75; 85.55; 86.34	798.1	Feyzi, Aynaz; Jafarpour, Farnaz Regioselective C3–C4 difunctionalization of 4-bromocoumarins via Pd/norbornene catalysis RSC Advances, 2025, 15, 34434-34438
7250896	CIF	C48 H26 N8	P -1	6.645; 11.421; 15.338 80.34; 82.07; 88.74	1136.6	Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives CrystEngComm, 2025, 27, 7081-7093
7250897	CIF	C63 H39 I2 N9 O3 Sn	P -1	14.5583; 14.6841; 16.1918 68.874; 70.185; 62.069	2791.2	Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives CrystEngComm, 2025, 27, 7081-7093
7250898	CIF	C68 H46 I2 N10 O6 Sn	P -1	7.719; 12.2333; 17.0991 73.879; 80.487; 75.715	1495.05	Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives CrystEngComm, 2025, 27, 7081-7093
7250899	CIF	C8 H7 N O3	P 1 c 1	8.0401; 3.8577; 11.7923 90; 90.148; 90	365.75	Mathew, Ansu; Karuppannan, Srinivasan Influence of degraded 1,4-dioxane on the formylation of para-aminobenzoic acid: a pathway to the reactive crystallization of para-formamidobenzoic acid CrystEngComm, 2025, 27, 7071-7080
7250900	CIF	C13 H12 N2 O4	P -1	6.193; 8.8783; 11.8108 104.567; 94.949; 104.436	600.94	Singh, Munendra Pal; Hazarika, Abhinav; Baruah, Jubaraj B. Are supramolecular synthons stable as discrete units? Results from a series of salts of 4-(4-hydroxyphenylazo)benzoic acid and its derivatives with aminopyridines Physical Chemistry Chemical Physics, 2025
7250901	CIF	C20 H21 N4 O4	P -1	9.2152; 9.748; 10.9494 78.874; 83.021; 79.171	944.19	Singh, Munendra Pal; Hazarika, Abhinav; Baruah, Jubaraj B. Are supramolecular synthons stable as discrete units? Results from a series of salts of 4-(4-hydroxyphenylazo)benzoic acid and its derivatives with aminopyridines Physical Chemistry Chemical Physics, 2025
7250902	CIF	C13 H30 Br4 Cd N4	P -4 21 m	13.4605; 13.4605; 14.4058 90; 90; 90	2610.12	Kim, Sun Ha; Shin, Daiha; Ko, Yoon-Joo; Lim, Ae Ran Comprehensive study of organic–inorganic hybrid [N(C2H5)4]2CdBr4: crystal structure, phase transitions, and structural geometry RSC Advances, 2025, 15, 34939-34947
7250903	CIF	C16 H11 F3 O2	P 1 21/n 1	7.6889; 11.4309; 30.912 90; 94.589; 90	2708.2	Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M. Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis CrystEngComm, 2025, 27, 6781-6796
7250904	CIF	C15 H11 F O2	P 21 21 21	7.1384; 12.7929; 12.9301 90; 90; 90	1180.79	Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M. Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis CrystEngComm, 2025, 27, 6781-6796
7250905	CIF	C2 H8 F2 N O4 P Zr	P 1 21/m 1	6.5946; 6.5775; 9.962 90; 98.763; 90	427.07	Chen, Ziyuan; Liu, Shuzhen; Li, Shuangjiang; Chen, Zhihua; Yang, Lu; Zhang, Shengmao; Sun, Haiyan; Feng, Meiling; Huang, Xiaoying Efficient capture of Sr2+ ions by a layered crystalline zirconium phosphate fluoride CrystEngComm, 2025, 27, 7063-7070
7250906	CIF	C63 H64 Cl6 Fe N3	P -1	9.3002; 13.7002; 22.497 96.212; 90.55; 100.482	2800.8	Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Wang, Yizhou; Gao, Jiahao; Liang, Tongling; Sun, Wen-Hua Modulation of 2-imino-6,7-dihydroquinlin-8(5H)-imine-iron ethylene polymerization catalysts through (cyclo)alkyl, benzhydryl and halide substitution RSC Advances, 2025, 15, 35055-35067
7250907	CIF	C87 H81 Cl2 Fe N3	P 1 21/c 1	28.2417; 17.0632; 17.8586 90; 101.352; 90	8437.6	Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Wang, Yizhou; Gao, Jiahao; Liang, Tongling; Sun, Wen-Hua Modulation of 2-imino-6,7-dihydroquinlin-8(5H)-imine-iron ethylene polymerization catalysts through (cyclo)alkyl, benzhydryl and halide substitution RSC Advances, 2025, 15, 35055-35067
7250908	CIF	C17 H23 Cl N2 O2	P 1 21/c 1	11.2517; 13.8607; 11.2925 90; 94.92; 90	1754.65	R., Manjunath; Rao, Ashwini; Mahesha,; A. H., Udaya Kumar; Acharya, Sudarshan; Udupa E. G., Padmanabha; Abdul Salam, Abdul Ajees; Hakkimane, Sushruta S.; B. S., Shashikala; N. K., Lokanath; Gaonkar, Santosh L. Design and synthesis of N-substituted-2-butyl-4-chloro-1H-imidazole derivatives as potential ACE inhibitors: in vitro study, in-silico analysis, and a multifaceted CSD-supported crystallographic investigation RSC Advances, 2025, 15, 35077-35098
7250909	CIF	C8 H6 N8 O9	P c a 21	19.0525; 4.9314; 14.2572 90; 90; 90	1339.54	Zhang, Xiaoyan; Zhang, Qisheng; Zhao, Yunshu; Li, Guiying; Jiang, Tiying; Suo, Zhirong; Sun, Shanhu; Su, Li Synthesis, crystal structure and properties of 3-picrylamino-1,2,4-triazole-nitric acid self-assembled energetic material RSC Advances, 2025, 15, 35109-35114
7250910	CIF	C35 H36 N4 Ni O3	P 1 21 1	9.8518; 9.0638; 16.7122 90; 90.598; 90	1492.23	Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids. RSC advances, 2025, 15, 35379-35387
7250911	CIF	C35 H38 N4 Ni O3	P 21 21 21	8.0669; 11.4585; 32.7459 90; 90; 90	3026.85	Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids. RSC advances, 2025, 15, 35379-35387
7250912	CIF	C41 H40 N4 Ni O4	P 21 21 21	9.27604; 9.63867; 38.6709 90; 90; 90	3457.51	Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids. RSC advances, 2025, 15, 35379-35387
7250913	CIF	C34 H28 N2 O3	P b c a	8.1317; 16.3483; 41.1137 90; 90; 90	5465.6	Pradeep Kumar, Mommuleti; Sarkar, Tukki; Durga Prasad, Vemavarapu; Sharma, Nidhi; Kumar B, Harish; Sai Balaji, Andagulapati; Nagendra Babu, Bathini Pyrido-indole-one hybrids as potential anticancer agents against breast carcinoma: development of Ru(ii)-catalyzed annulation of indole-2-carboxamides, biological screening and molecular docking studies. RSC advances, 2025, 15, 35445-35459
7250914	CIF	C93 H66 B4 Co2 F16 N12 O3	C 1 c 1	8.8745; 41.277; 23.237 90; 98.318; 90	8422	Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations RSC Advances, 2025, 15, 35892-35898
7250915	CIF	C69 H41 B2 Cl9 Co F8 N6	P -1	10.9464; 17.5374; 18.3393 105.877; 105.286; 99.921	3151.14	Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations RSC Advances, 2025, 15, 35892-35898
7250916	CIF	C56 H37 B2 Co F8 N7	P 1 21/c 1	14.6941; 16.9594; 19.7961 90; 104.323; 90	4779.9	Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations RSC Advances, 2025, 15, 35892-35898
7250917	CIF	C139 H97 B4 Co2 F16 N19	P 1 21/c 1	20.3553; 14.0557; 22.6261 90; 107.921; 90	6159.4	Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations RSC Advances, 2025, 15, 35892-35898
7250918	CIF	C12 H15 N O2	P 1 21/c 1	11.6446; 9.385; 10.0559 90; 98.075; 90	1088.1	Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng An unconventional photochemical amide synthesis from excited-state nitroarenes Green Chemistry, 2025, 27, 13427-13435
7250919	CIF	C11 H13 N O2	P b c a	11.6455; 9.2112; 18.6069 90; 90; 90	1995.9	Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng An unconventional photochemical amide synthesis from excited-state nitroarenes Green Chemistry, 2025, 27, 13427-13435
7250920	CIF	C10 H11 N O2	P c a 21	9.9637; 5.741; 15.679 90; 90; 90	896.9	Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng An unconventional photochemical amide synthesis from excited-state nitroarenes Green Chemistry, 2025, 27, 13427-13435
7250921	CIF	C10 H11 N O2	P 1 21/n 1	7.314; 12.846; 10.041 90; 92.34; 90	942.6	Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng An unconventional photochemical amide synthesis from excited-state nitroarenes Green Chemistry, 2025, 27, 13427-13435
7250922	CIF	C10 H7 N O3	P 1 21/c 1	5.158; 16.263; 11.109 90; 99.35; 90	919.5	Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng An unconventional photochemical amide synthesis from excited-state nitroarenes Green Chemistry, 2025, 27, 13427-13435
7250923	CIF	C10 H10 F N O2	P n m a	7.4227; 6.7898; 18.749 90; 90; 90	944.9	Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng An unconventional photochemical amide synthesis from excited-state nitroarenes Green Chemistry, 2025, 27, 13427-13435
7250924	CIF	C14 H13 N O2	P 1 21/c 1	7.4116; 12.5682; 12.6455 90; 92.181; 90	1177.08	Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng An unconventional photochemical amide synthesis from excited-state nitroarenes Green Chemistry, 2025, 27, 13427-13435
7250925	CIF	C12 H9 N3 O	P 1 21/c 1	12.478; 6.1791; 13.853 90; 113.521; 90	979.4	Santra, Souvik; Mondal, Rintu; Guchhait, Nikhil Proton transfer across four-member hydrogen bonded network prefers over six-member hydrogen bonded network: Lactim-Lactam vs Imine-Amine photoisomerization Physical Chemistry Chemical Physics, 2025
7250926	CIF	C12 H8 N2 O S	P 1 21/c 1	11.45; 4.9755; 18.12 90; 104.206; 90	1000.7	Santra, Souvik; Mondal, Rintu; Guchhait, Nikhil Proton transfer across four-member hydrogen bonded network prefers over six-member hydrogen bonded network: Lactim-Lactam vs Imine-Amine photoisomerization Physical Chemistry Chemical Physics, 2025
7250927	CIF	C22 H16 O4	P 1 21/c 1	19.78; 4.9187; 19.121 90; 115.035; 90	1685.5	Demidov, Oleksii O.; Chepeleva, Ludmila V.; Shishkina, Svitlana V.; Gladkov, Eugene S.; Kyrychenko, Alexander; Linnik, Rostyslav P.; Roshal, Alexander D. Influence of C3′- and C4′-substitutions on fluorescence, crystal packing, and physicochemical properties of flavonol RSC Advances, 2025, 15, 36300-36318
7250928	CIF	C16 H12 O4	P 1 21/c 1	11.2635; 4.988; 22.0194 90; 95.119; 90	1232.17	Demidov, Oleksii O.; Chepeleva, Ludmila V.; Shishkina, Svitlana V.; Gladkov, Eugene S.; Kyrychenko, Alexander; Linnik, Rostyslav P.; Roshal, Alexander D. Influence of C3′- and C4′-substitutions on fluorescence, crystal packing, and physicochemical properties of flavonol RSC Advances, 2025, 15, 36300-36318
7250929	CIF	C21 H27 N3 O12 Tb	P -1	10.4787; 10.9459; 12.6061 104.133; 108.619; 97.17	1296.01	Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation CrystEngComm, 2025, 27, 7228-7236
7250930	CIF	C22 H31.4 N2 O12.7 Tb	C 1 2/c 1	27.737; 10.588; 22.263 90; 99.577; 90	6447	Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation CrystEngComm, 2025, 27, 7228-7236
7250931	CIF	C44 H61 N5 O25 Tb2	P -1	11.2214; 14.5112; 18.8206 94.384; 106.455; 110.71	2695.4	Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation CrystEngComm, 2025, 27, 7228-7236
7250932	CIF	C73 H67 N4 O8 Tb	P 21 21 21	17.0372; 17.9771; 21.5515 90; 90; 90	6600.8	Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands CrystEngComm, 2025, 27, 7213-7218
7250933	CIF	C118 H104 N4 O16 Tb2	P 1 21 1	13.8331; 20.3348; 20.2449 90; 97.612; 90	5644.6	Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands CrystEngComm, 2025, 27, 7213-7218
7250934	CIF	C16 H36 Br4 N2 Zn	P 1 21/c 1	16.5689; 9.407; 17.1548 90; 108.421; 90	2536.8	Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal CrystEngComm, 2025, 27, 7170-7177
7250935	CIF	C16 H36 Br4 N2 Zn	P 1 21/c 1	16.12; 9.3802; 17.127 90; 109.239; 90	2445.1	Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal CrystEngComm, 2025, 27, 7170-7177
7250936	CIF	C16 H36 Br4 N2 Zn	P 1 21/c 1	15.9088; 9.2491; 17.0343 90; 109.705; 90	2359.69	Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal CrystEngComm, 2025, 27, 7170-7177
7250937	CIF	C40 H26 Cd Cl2 N8	P n n a	12.8121; 15.663; 20.3134 90; 90; 90	4076.41	Ernst, Michelle; Poręba, Tomasz Structural adaptation in a cadmium–porphyrin MOF through solvent-driven change of interpenetration CrystEngComm, 2025, 27, 7032-7037
7250938	CIF	C5 H10 O5	P 21 21 21	4.8396; 6.516; 19.4563 90; 90; 90	613.55	Wu, Qingfeng; Li, chuchu; Li, Xintong; Xiao, Yuting; Ding, Qin; Zhou, Qing Photoluminescence and mechanism insights of isomers D- (-)-Arabinose and L-(+)-Arabinose crystals Physical Chemistry Chemical Physics, 2025
7250939	CIF	C5 H10 O5	P 21 21 21	4.8438; 6.522; 19.4436 90; 90; 90	614.25	Wu, Qingfeng; Li, chuchu; Li, Xintong; Xiao, Yuting; Ding, Qin; Zhou, Qing Photoluminescence and mechanism insights of isomers D- (-)-Arabinose and L-(+)-Arabinose crystals Physical Chemistry Chemical Physics, 2025
7250940	CIF	C21 H17 Cl O6	C 1 2/c 1	23.9515; 9.1618; 17.4802 90; 111.285; 90	3574.2	Zhou, Huafeng; Huang, Jiayong; Su, Jian; Su, Xiaowei; Chen, Qiujuan; Li, Rui; Zheng, Yuxiao; Chen, Rui; Huo, Lini Design and synthesis of novel angular 4,5-pyranocoumarin fluorescent probes for detecting hydrazine and their applications RSC Advances, 2025, 15, 36525-36533
7250941	CIF	C34 H42 F24 N10 O2 P4	P 1 21/c 1	9.7103; 15.367; 16.634 90; 106.66; 90	2377.9	Wang, Fang; Hua, Kai Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages RSC Advances, 2025, 15, 36704-36709
7250942	CIF	C54 H70 N10 O21 S4	P -1	9.99; 11.5725; 13.5773 106.084; 93.193; 91.577	1504.4	Wang, Fang; Hua, Kai Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages RSC Advances, 2025, 15, 36704-36709
7250943	CIF	C54 H60 N10 O17 S4	P -1	13.1874; 13.5426; 16.645 103.076; 93.461; 91.759	2887.3	Wang, Fang; Hua, Kai Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages RSC Advances, 2025, 15, 36704-36709
7250944	CIF	C176 H166 Ag4 B4 N26	P -1	14.7897; 16.456; 17.2188 83.565; 75.898; 69.642	3808.8	Wang, Fang; Hua, Kai Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages RSC Advances, 2025, 15, 36704-36709
7250945	CIF	C45 H47 F6 N8 O12 P S3	P -1	13.5033; 13.5926; 16.9599 77.384; 86.634; 61.567	2667.6	Wang, Fang; Hua, Kai Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages RSC Advances, 2025, 15, 36704-36709
7250946	CIF	C23 H18 Cl2 N2 O3 S	P -1	9.805; 10.4025; 10.8869 78.332; 85.743; 88.576	1084.4	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250947	CIF	C23 H18 Br Cl N2 O3 S	P 1 21/n 1	9.414; 10.97; 20.797 90; 94.98; 90	2139.6	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250948	CIF	C23 H18 Br Cl N2 O3 S	P -1	9.869; 10.478; 10.8827 77.635; 85.089; 88.968	1095.21	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250949	CIF	C23 H18 Br2 N2 O3 S	P -1	7.663; 10.8463; 13.3597 105.308; 93.899; 91.273	1067.59	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250950	CIF	C23 H18 Br2 N2 O3 S	P -1	9.9689; 10.4507; 10.9158 77.441; 85.094; 88.691	1105.9	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250951	CIF	C23 H18 Br Cl N2 O3 S	P -1	9.8663; 10.374; 10.8917 78.015; 85.853; 88.601	1087.59	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250952	CIF	C23 H18 Br2 N2 O3 S	P -1	7.7322; 11.5483; 12.9685 74.852; 85.203; 73.512	1071.8	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250953	CIF	C23 H18 Br Cl N2 O3 S	P -1	7.635; 10.878; 13.2457 105.712; 94.019; 90.956	1055.66	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250954	CIF	C23 H18 Br I N2 O3 S	P -1	10.1225; 10.4444; 10.9523 76.93; 85.086; 88.512	1123.75	Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893
7250955	CIF	C12 H15 O15 S2 Y	P 1 21/m 1	10.8473; 6.7443; 11.8655 90; 95.9398; 90	863.39	Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers CrystEngComm, 2025, 27, 5952-5958
7250956	CIF	C12 H9 K3 O12 S2	C 1 2/c 1	20.6899; 7.2134; 11.8766 90; 93.194; 90	1769.76	Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers CrystEngComm, 2025, 27, 5952-5958
7250957	CIF	C18 H12 N4 O7	P 21 21 21	6.8385; 8.6736; 27.7797 90; 90; 90	1647.74	Ahmed, Ruby; Ali, Farman; Alam, Mohammad Jane; Tameem, Mohd; Ali, Abid; Ahmad, Musheer; Khan, Mohd Adeel Fluorescence quenching aptitude of carbazole for the detection of nitro-aromatics: a comprehensive experimental analysis and computational studies validation. RSC advances, 2025, 15, 29479-29489
7250958	CIF	C22 H21 Br N2 O6	P -1	7.8555; 11.8073; 12.6358 68.39; 73.555; 82.248	1044.43	Singh Tanwer, Yogesh Bhaskar; Sourabh, Suman; Bhunia, Sabyasachi; Pal, Sanchari; Das, Debjit pTSA-catalyzed synthesis of functionalized chromeno[2,3-d]pyrimidine/chromeno[4,3-b]chromene derivatives via one-pot three component reaction: mechanistic insights and variable temperature NMR studies to investigate restricted bond rotation RSC Advances, 2025, 15, 37090-37098
7250959	CIF	C76 H54 Co2 N6 O10	P -1	14.6443; 16.4598; 16.4623 100.736; 114.653; 97.526	3445.2	Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers CrystEngComm, 2025, 27, 7399-7407
7250960	CIF	C34 H33 Co2 N3 O9	P -1	8.5731; 13.2356; 15.4444 114.01; 102.728; 91.42	1548.58	Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers CrystEngComm, 2025, 27, 7399-7407
7250961	CIF	C60 H50 Co4 N6 O18	P 1 21/n 1	6.8851; 14.5259; 27.3637 90; 94.163; 90	2729.5	Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers CrystEngComm, 2025, 27, 7399-7407
7250962	CIF	C2.8 H4 Ag0.2 N0.6 O0.8	P 1 c 1	7.286; 15.961; 6.859 90; 102.481; 90	778.8	La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347
7250963	CIF	C10 H8 Ag Br2 N3 O3	C 1 2/c 1	13.562; 14.966; 7.0426 90; 99.938; 90	1408	La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347
7250964	CIF	C15 H12 Ag Br3 N4 O3	P -1	7.3925; 8.9234; 14.7986 80.079; 82.414; 82.005	946.4	La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347
7250965	CIF	C15 H12 Ag Cl3 N4 O3	P -1	7.1676; 8.8598; 14.8779 79.038; 83.22; 83.3	916.8	La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347
7250966	CIF	C14 H18 Ag N3 O3	P 1 21/n 1	8.2271; 13.9947; 13.1526 90; 93.875; 90	1510.9	La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347
7250967	CIF	C14 H18 Ag N3 O3	P b c n	9.8316; 14.5509; 10.4516 90; 90; 90	1495.2	La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347
7250968	CIF	C84 H108 Ag4 N16 O12	P 1 21/n 1	8.4006; 28.694; 9.6056 90; 110.131; 90	2173.9	La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347
7250969	CIF	C20 H12 Br Cl3 I N3 Pt S	P 1 21/n 1	9.1118; 9.4747; 26.5196 90; 94.91; 90	2281.1	Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948
7250970	CIF	C20 H12 Cl3 I2 N3 Pt S	P 1 21/n 1	9.2357; 9.5567; 26.4572 90; 94.352; 90	2328.45	Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948
7250971	CIF	C18 H11 Br2 Cl N2 Pt	P 1 21/c 1	14.2022; 5.4179; 22.6784 90; 95.358; 90	1737.39	Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948
7250972	CIF	C19 H12 Br Cl4 I N2 Pt	P -1	9.0883; 9.8987; 13.0781 73.195; 81.969; 88.63	1115.08	Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948
7250973	CIF	C20 H14 Br2 N4 O2 Pt S	P 1 21/n 1	9.1208; 9.1619; 25.3184 90; 92.414; 90	2113.83	Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948
7250974	CIF	C67 H95 Cl9 Cu4 N8	P -1	11.7131; 12.9283; 23.679 81.723; 86.491; 89.546	3541.7	Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999
7250975	CIF	C113 H145 Cu4 N8	C 1 2/c 1	26.7596; 16.0134; 44.636 90; 95.211; 90	19048	Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999
7250976	CIF	C95 H130 Ag4 Cl6 N8	C 1 2/c 1	18.8833; 25.3326; 18.958 90; 91.053; 90	9067.3	Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999
7250977	CIF	C48 H69 Ag3 N6	P 1 21/c 1	14.9738; 12.7162; 23.893 90; 95.89; 90	4525.4	Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999
7250978	CIF	C95.6 H127.6 Cu4 N8	P -1	15.8447; 16.6587; 17.2643 73.325; 80.088; 68.762	4057	Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999
7250979	CIF	C23 H32 N2	P -1	12.4236; 12.7605; 13.4789 76.322; 87.605; 62.505	1836.1	Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999
7250980	CIF	C50 H74 Ag N5 O4	P n a 21	13.0607; 17.7739; 19.3443 90; 90; 90	4490.6	Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999
7250981	CIF	C105 H162 Cl18 Cu6 N12 O6	C 1 2/c 1	28.934; 18.033; 23.2794 90; 101.016; 90	11922.6	Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999
7250982	CIF	C9 H13 N3 O	I 1 2/a 1	14.1135; 9.5709; 15.7423 90; 114.958; 90	1927.88	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250983	CIF	C12 H19 N3 O	P 1 21/n 1	9.4878; 5.36366; 24.6068 90; 97.8206; 90	1240.58	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250984	CIF	C10 H15 N3 O	P -1	5.4877; 9.4348; 10.5745 86.598; 83.945; 76.146	528.28	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250985	CIF	C6 H6 Br N3 O	C c c m	11.8524; 18.7728; 6.6622 90; 90; 90	1482.36	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250986	CIF	C10 H14 Br N3 O	P -1	4.22728; 9.25178; 15.5113 83.8025; 88.238; 77.2224	588.149	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250987	CIF	C7 H8 Br N3 O	P -1	11.91357; 12.78923; 13.5543 116.358; 103.363; 100.543	1701.06	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250988	CIF	C9 H12 Cl N3 O	P 1 21/c 1	8.51521; 26.9519; 9.59636 90; 99.8219; 90	2170.09	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250989	CIF	C9 H12 Br N3 O	P -1	8.1664; 10.9587; 13.4268 70.255; 73.271; 78.236	1075.49	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250990	CIF	C7 H9 N3 O	I 1 2/m 1	9.43; 6.8202; 12.068 90; 98.06; 90	768.5	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250991	CIF	C8 H11 N3 O	I 1 2/a 1	17.7106; 5.3994; 18.1317 90; 96.21; 90	1723.7	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250992	CIF	C8 H10 Br N3 O	P -1	4.59547; 8.48559; 12.8938 89.593; 87.432; 76.571	488.56	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250993	CIF	C12 H18 Br N3 O	P -1	5.4649; 10.9705; 12.1885 92.709; 102.343; 100.682	698.59	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250994	CIF	C7 H8 Cl N3 O	P -1	11.7286; 12.7307; 13.5373 116.572; 103.249; 99.737	1671.82	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250995	CIF	C6 H6 Cl N3 O	C c c m	11.5229; 18.7942; 6.594 90; 90; 90	1428.02	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250996	CIF	C8 H10 Cl N3 O	P -1	4.4817; 8.3337; 12.9705 89.426; 87.812; 77.427	472.475	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250997	CIF	C11 H16 Br N3 O	P 1 21/n 1	11.27079; 5.29124; 21.5186 90; 104.083; 90	1244.72	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250998	CIF	C12 H18 Cl N3 O	P -1	4.7917; 7.8274; 18.7292 98.463; 97.059; 100.985	673.8	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7250999	CIF	C10 H14 Cl N3 O	P 1 21/n 1	11.8655; 4.9261; 20.0131 90; 104.12; 90	1134.44	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7251000	CIF	C11 H17 N3 O	P -1	5.404; 9.4516; 11.8359 86.634; 78.835; 74.9	572.59	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7251001	CIF	C11 H16 Cl N3 O	P 1 21/c 1	14.1859; 4.43507; 20.7479 90; 107.348; 90	1245.98	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011
7251002	CIF	C10 H14 Br N3 O	P 1 21/c 1	26.6198; 10.98094; 8.05204 90; 93.5077; 90	2349.29	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011