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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
7250459	CIF	C28 H52 N6 O16 Tb2	P -1	10.5916; 10.6052; 11.5225 113.549; 95.905; 115.253	1013.11	Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P. Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks CrystEngComm, 2025, 27, 4699-4706
7250460	CIF	C24 H46 N4 O16 Tb2	P -1	9.7692; 10.1377; 10.6609 72.938; 72.646; 63.374	884.97	Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P. Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks CrystEngComm, 2025, 27, 4699-4706
7250461	CIF	C9 H15 N O4	P -1	5.619; 8.2905; 11.0972 99.262; 99.099; 102.841	487.25	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250462	CIF	C14 H13 N O4	P -1	5.6275; 9.642; 11.8288 100.639; 90.079; 102.129	616.18	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250463	CIF	C16 H26 N2 O11	P 1 21/n 1	8.0431; 14.8328; 16.9537 90; 98.675; 90	1999.5	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250464	CIF	C11 H17 N O6	P 1 21/c 1	8.8182; 5.5773; 25.613 90; 97.959; 90	1247.56	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250465	CIF	C19 H21 N O4	P -1	7.9935; 10.9224; 11.3553 76.15; 75.668; 72.689	902.21	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250466	CIF	C19 H21 N O4	P 21 21 21	5.6443; 17.2728; 17.5092 90; 90; 90	1707	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250467	CIF	C31 H23 N O2	P 1 2/n 1	20.332; 9.1554; 26.9029 90; 108.812; 90	4740.4	Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C. The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines CrystEngComm, 2025, 27, 4176-4188
7250468	CIF	C32 H25 N O2	P 21 21 21	10.4369; 10.7155; 21.6126 90; 90; 90	2417.08	Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C. The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines CrystEngComm, 2025, 27, 4176-4188
7250469	CIF	C32 H25 N O2	P 1 2/n 1	20.6545; 9.0895; 27.2828 90; 109.272; 90	4835	Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C. The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines CrystEngComm, 2025, 27, 4176-4188
7250470	CIF	C19 H21 Cl N4 O4	C 1 2/c 1	16.4563; 14.201; 16.436 90; 97.994; 90	3803.7	Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study CrystEngComm, 2025, 27, 4722-4733
7250471	CIF	C19 H21 Cl N4 O4	C 1 2/c 1	16.4563; 14.201; 16.436 90; 97.994; 90	3803.7	Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study CrystEngComm, 2025, 27, 4722-4733
7250472	CIF	C19 H21 Cl N4 O4	C 1 2/c 1	16.4563; 14.201; 16.436 90; 97.994; 90	3803.7	Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study CrystEngComm, 2025, 27, 4722-4733
7250473	CIF	C19 H19 Cl N4 O3	C 1 2/c 1	23.295; 14.4908; 11.5884 90; 100.772; 90	3842.9	Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study CrystEngComm, 2025, 27, 4722-4733
7250475	CIF	C17 H18 Ag N5 S3	P 1 21/c 1	11.839; 19.437; 8.4998 90; 94.456; 90	1950	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250476	CIF	C8 H9 Ag N3 O3 S	P b c a	10.4384; 7.9869; 25.5132 90; 90; 90	2127.05	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250477	CIF	C18 H21 Ag F6 N5 P S2	P -1	8.9221; 9.1495; 15.5032 99.962; 105.877; 92.806	1192.7	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250478	CIF	C18 H21 Ag B F4 N5 S2	P -1	8.7606; 9.1372; 14.8333 100.491; 106.509; 92.957	1112.64	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250479	CIF	C18 H21 Ag Cl N5 O4 S2	P -1	8.7317; 9.0556; 14.9153 100.097; 106.306; 92.91	1108.14	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250480	CIF	C32 H36 Ag N9 O3 S4	P -1	8.2259; 12.92; 16.5893 87.868; 81.755; 86.775	1741.3	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250481	CIF	C33 H36 Ag N9 S5	P -1	8.4341; 13.2016; 16.9441 92.035; 103.887; 94.377	1823.31	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250482	CIF	C20 H15 N4 O5.5 Zn	C 1 2/c 1	24.585; 11.4983; 16.964 90; 129.258; 90	3713.2	Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang Central metal ion of MOFs modulates the fluorescence detection of Fe3+ CrystEngComm, 2025, 27, 4582-4590
7250483	CIF	C20 H12 N4 O4 Sr	P c c a	15.9757; 12.5349; 8.3633 90; 90; 90	1674.8	Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang Central metal ion of MOFs modulates the fluorescence detection of Fe3+ CrystEngComm, 2025, 27, 4582-4590
7250484	CIF	C2 H4 K O3.5	P 1 21/m 1	5.8982; 7.2515; 11.027 90; 102.253; 90	460.89	Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate CrystEngComm, 2025, 27, 4816-4825
7250485	CIF	C4 H7 K O6	P 1 21/c 1	3.9788; 17.5322; 10.5049 90; 102.342; 90	715.86	Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate CrystEngComm, 2025, 27, 4816-4825
7250487	CIF	Fe3 H2 Na0.69 O12 P3	C 1 2/c 1	11.9917; 12.308; 6.4995 90; 114.554; 90	872.54	Kurashkina, Anna A.; Alekseeva, Anastasia M.; Soboleva, Iana S.; Sobolev, Alexey V.; Mironov, Andrey V.; Marikutsa, Artem V.; Mikheev, Ivan V.; Shatalova, Tatyana B.; Presniakov, Igor A.; Drozhzhin, Oleg A.; Antipov, Evgeny V. Unraveling the transition from alluaudite to triphylite phases during LiFePO4 hydrothermal synthesis CrystEngComm, 2025, 27, 4209-4220
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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