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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1566931	CIF	C30 H30 N O2	P 1 21/c 1	13.2005; 19.9331; 9.2145 90; 94.679; 90	2416.5	Wei, Wan-Xu; Kong, Xiangtao; Jiao, Rui-Qiang; Li, Xue-Song; Wang, Cui-Tian; Li, Yuke; Liang, Yong-Min Regioselective Synthesis of Spirocyclic Pyrrolines via a Palladium-Catalyzed Narasaka-Heck/C-H Activation/[4+2] Annulation Cascade Reaction Chemical Science, 2022
1566932	CIF	C48 H36 B Cu F24	P b c a	18.0783; 19.0664; 27.2154 90; 90; 90	9380.8	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566933	CIF	C71 H75 B Cu F24 N4 P3	P 1 21/n 1	14.9684; 25.1887; 19.9836 90; 95.937; 90	7494.1	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566934	CIF	C41 H65 Al Cu N4 O0.5 P3	P -1	11.2148; 14.0921; 14.3396 70.906; 82.68; 80.584	2106	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566935	CIF	C42.5 H64 Cu Ga N4 P3	P -1	11.344; 14.194; 14.285 70.274; 79.551; 82.067	2121.9	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566936	CIF	C78 H120 B12 Cl12 Cu2 Ga2 N8 P6	P -3 c 1	14.9147; 14.9147; 26.629 90; 90; 120	5130	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566937	CIF	C78 H120 Al2 B12 Cl12 Cu2 N8 P6	P -3 c 1	14.9086; 14.9086; 26.6016 90; 90; 120	5120.5	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science, 2022, 13, 6525-6531
1566938	CIF	C34 H58 Tm	P 1 21/c 1	19.4715; 18.0905; 19.5394 90; 109.702; 90	6479.8	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566939	CIF	C70 H116 O2 Tm2	P 1 21/n 1	18.1868; 11.4972; 31.4355 90; 93.696; 90	6559.4	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566940	CIF	C71 H116 O3 Tm2	P c a 21	21.251; 10.8765; 28.794 90; 90; 90	6655.3	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566941	CIF	C74 H128 O3 Tm2	P 1 2/n 1	18.6229; 10.3489; 19.6817 90; 111.234; 90	3535.7	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566942	CIF	C74.25 H121.4 O5 Tm2	P -1	10.596; 17.174; 21.404 98.599; 99.006; 106.877	3602.1	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566943	CIF	C109 H177 O6 Tm3	I 1 2/a 1	29.457; 16.1306; 46.333 90; 105.969; 90	21166	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566944	CIF	C93 H170 O4 Si2 Tm2	P -1	13.4591; 17.361; 20.0159 65.739; 85.671; 77.074	4155.2	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566945	CIF	C159 H272 O12 Tm4	P -1	14.9953; 17.8272; 28.3472 75.491; 82.62; 70.215	6895.2	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566946	CIF	C127 H196 O12 Tm4	P -1	17.9662; 18.3952; 19.483 83.851; 83.324; 75.907	6182	Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022
1566947	CIF	C15 H14 Er N9 O12.5	P -1	8.9555; 9.4191; 15.4553 75.154; 77.176; 67.936	1156.33	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF Chemical Science, 2022
1566948	CIF	C15 H8 Er N9 O7.5	P -1	9.0051; 9.3427; 12.533 93.979; 97.759; 115.991	929.3	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF Chemical Science, 2022
1566949	CIF	C15 H14 Er N9 O10	P -1	8.6201; 10.422; 11.9887 80.139; 79.145; 82.373	1036.52	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF Chemical Science, 2022
1566950	CIF	C15 H10 Er N9 O8	P -1	9.013; 9.2; 12.495 94.9; 98.1; 115.67	912	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF Chemical Science, 2022
1566951	CIF	C38 H40 N4 Zn2	P 1 21/c 1	10.9337; 16.6716; 9.6093 90; 98.976; 90	1730.15	Liao, Xi; Cui, Feng-Chao; He, Jiang-Hua; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Yue-Tao A sustainable approach for the synthesis of recyclable cyclic CO2-based polycarbonates Chemical Science, 2022
1566952	CIF	C39 H34 N2 O6 S2	P -1	9.9015; 11.8523; 14.5872 93.222; 99.421; 100.578	1653.52	Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework Chemical Science, 2022
1566953	CIF	C249 H289 N25 O80 Zr6	F m -3	38.4865; 38.4865; 38.4865 90; 90; 90	57006.6	Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework Chemical Science, 2022
1566954	CIF	C8 H5 F3 N2 O6	P 1 21/c 1	6.1503; 12.5829; 13.1818 90; 93.683; 90	1018.01	Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M. Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols Chemical Science, 2022
1566955	CIF	C17 H12 Br F3 N2 O7	P 21 21 21	10.9727; 11.795; 14.1878 90; 90; 90	1836.23	Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M. Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols Chemical Science, 2022
1566956	CIF	C15 H12 F3 N O4	P b c a	13.5889; 9.9317; 20.9678 90; 90; 90	2829.83	Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M. Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols Chemical Science, 2022
1566957	CIF	C40 H38 O10	P 1	13.5907; 15.0346; 18.9632 97.644; 101.994; 104.537	3598	Zhao, Gaoyuan; Mukherjee, Upasana; Zhou, Lin; Wu, Yue; Yao, Wang; Mauro, Jaclyn N.; Liu, Peng; Ngai, Ming-Yu C2-ketonylation of carbohydrates via excited-state palladium-catalyzed 1,2-spin-center shift Chemical Science, 2022
1566959	CIF	C18 H8 N2 O2	P 1 21/c 1	4.3819; 13.469; 10.1801 90; 97.073; 90	596.3	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566960	CIF	C18 H12 N2 O4	P 1 21/c 1	7.5646; 3.6755; 23.933 90; 95.995; 90	661.79	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566961	CIF	C24 H8 F4 I2 N2 O2	P -1	4.1848; 7.7399; 16.2513 92.097; 90.002; 99.199	519.25	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566962	CIF	C18 H8 N2 O2	P 1 21/n 1	11.589; 3.7599; 14.384 90; 112.54; 90	578.9	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566963	CIF	C24 H8 F4 I2 N2 O2	P -1	4.2046; 6.7216; 18.2394 94.632; 93.684; 99.922	504.5	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566964	CIF	C27 H24.75 N3 O7.88	C 1 2/c 1	12.826; 28.416; 27.47 90; 101.61; 90	9807	Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case Chemical Science, 2022
1566965	CIF	C37 H54 N5 Nb O3	P -1	10.17; 12.074; 15.7696 91.221; 90.452; 114.46	1761.9	Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations Chemical Science, 2022
1566966	CIF	C37 H54 N5 O3 Ta	P -1	10.178; 12.1307; 15.7705 91.362; 90.315; 114.43	1772.04	Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations Chemical Science, 2022
1566967	CIF	C38 H54 N5 O5 Ta	P 1 21 1	10.8852; 15.2484; 12.4719 90; 114.466; 90	1884.23	Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations Chemical Science, 2022
1566968	CIF	C42 H33 Cu2 F10 N7 O5 S2	P -1	12.9678; 14.3694; 14.5813 63.797; 69.859; 65.255	2171.18	Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science, 2022, 13, 6619-6625
1566969	CIF	C38 H24 B Cu2 F8 N7 O6 S2	P 1 21/n 1	13.3106; 22.6847; 15.3728 90; 107.618; 90	4424.05	Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science, 2022, 13, 6619-6625
1566970	CIF	C78 H69 B2 Cu4 F16 N14 O12.5 S4	P 1 21/n 1	12.4859; 32.2974; 21.2406 90; 90.543; 90	8565.14	Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science, 2022, 13, 6619-6625
1566971	CIF	C20 H10 F2 N2 O2	P 1 21/c 1	13.6961; 3.76836; 28.7891 90; 105.163; 90	1434.1	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566972	CIF	C20 H10 F2 N2 O2	P 1 21/c 1	14.2172; 3.76778; 13.7038 90; 102.504; 90	716.66	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566973	CIF	C20 H10 F2 N2 O2	P -1	3.8854; 7.0333; 14.1014 102.713; 86.084; 105.939	361.44	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566974	CIF	C20 H10 F2 N2 O2	P 1 21/c 1	14.3352; 3.77265; 27.374 90; 103.686; 90	1438.4	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566975	CIF	C20 H10 F2 N2 O2	P 1 21/c 1	14.166; 3.758; 13.762 90; 103.09; 90	713.6	Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9
1566976	CIF	C101 H175 As8 K3 N10 Nb O18 Zn4	P 1 21/n 1	16.9909; 33.0617; 22.675 90; 104.519; 90	12330.9	Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors. Chemical science, 2022, 13, 6744-6748
1566977	CIF	C92 H160 As8 K3 N8 O18 Ta Zn4	P 1 21/n 1	17.0926; 32.8161; 22.5199 90; 104.29; 90	12240.8	Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors. Chemical science, 2022, 13, 6744-6748
1566978	CIF	C71 H92 Cr Mg2 N4 O6	P n a 21	35.2188; 15.3914; 12.77462 90; 90; 90	6924.7	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566979	CIF	C71 H92 Mg2 N4 O6 W	P n a 21	35.3464; 15.4039; 12.869 90; 90; 90	7006.8	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566980	CIF	C67 H91 Mg2 Mn N4 O3	P 1 21/c 1	15.2588; 12.9668; 35.832 90; 97.903; 90	7022.3	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566981	CIF	C79 H120 Mg2 N4 O2 Rh	P 1 21/n 1	14.0176; 13.9077; 40.2691 90; 99.749; 90	7737.2	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566982	CIF	C104 H154 Cr Mg3 N6 O5	P 1 21/c 1	19.433; 17.40489; 30.8931 90; 96.4115; 90	10383.6	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566983	CIF	C79 H120 Ir Mg2 N4 O2	P 1 21/n 1	14.0273; 13.9062; 40.2048 90; 99.779; 90	7728.7	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566984	CIF	C67 H90 Cr Mg2 N4 O3	P 1 21/c 1	15.3628; 12.9497; 35.885 90; 99.436; 90	7042.5	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566985	CIF	C77 H100 Fe Mg2 N4 O5	P -1	13.3957; 13.4353; 22.6744 99.136; 97.078; 112.627	3642.1	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566986	CIF	C84 H115 Co Mg2 N4 O2	P 1 21/c 1	13.9878; 13.5935; 41.687 90; 92.375; 90	7919.7	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science, 2022, 13, 6592-6598
1566987	CIF	C12 H48 As8 N12 Ni2 O26 V6	I 41/a c d :2	20.3058; 20.3058; 24.3847 90; 90; 90	10054.4	Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang Composition-driven archetype dynamics in polyoxovanadates Chemical Science, 2022
1566988	CIF	C12 As8 N12 Ni2 O45 V12	P 1 21/n 1	23.1578; 11.9216; 11.7372 90; 95.2333; 90	3226.88	Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang Composition-driven archetype dynamics in polyoxovanadates Chemical Science, 2022
1566989	CIF	C15.23 H28.13 Cu1.07 N4.3	P b c n	11.819; 12.632; 10.1183 90; 90; 90	1510.6	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022
1566990	CIF	C14 H26 N4 Zn	P b c n	12.064; 11.9661; 10.878 90; 90; 90	1570.34	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022
1566991	CIF	C12 H19 N2 Ni O2.5	C 1 2/c 1	22.1206; 8.3405; 17.7408 90; 128.032; 90	2578.1	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022
1566992	CIF	C12 H18.13 Cu N2 O2.07	C 1 2/c 1	34.5296; 7.5713; 19.7903 90; 107.444; 90	4935.9	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022
1566993	CIF	C19 H14 B Cu F4 N2 O5	P 1 21/n 1	6.6391; 33.5424; 11.4021 90; 106.155; 90	2438.9	Kochetygov, Ilia; Justin, Anita; Asgari, Mehrdad; Yang, Shuliang; Karve, Vikram; Schertenleib, Till; Stoian, Dragos; Oveisi, Emad; Mensi, Mounir; Queen, Wendy L. 3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry Chemical Science, 2022
1566994	CIF	C17 H13 B Cu F4 N2 O4	P 1 21/c 1	14.932; 31.562; 14.861 90; 98.45; 90	6928	Kochetygov, Ilia; Justin, Anita; Asgari, Mehrdad; Yang, Shuliang; Karve, Vikram; Schertenleib, Till; Stoian, Dragos; Oveisi, Emad; Mensi, Mounir; Queen, Wendy L. 3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry Chemical Science, 2022
1566995	CIF	C22 H27 N O5	P -1	7.4056; 9.453; 15.293 84.544; 81.654; 83.321	1048.73	Martynova, Ekaterina A.; Voloshkin, Vladislav; Guillet, Sébastien; Bru, Francis; Belis, Marek; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P. Energy transfer (EnT) photocatalysis enabled by Gold-N-heterocyclic carbene (NHC) complexes Chemical Science, 2022
1566996	CIF	C15 H15 N O S	P 1 21/n 1	15.7788; 5.6659; 16.0675 90; 116.848; 90	1281.6	Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M. Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds. Chemical science, 2022, 13, 6567-6572
1566997	CIF	C23 H26 N2 O S	P 1 n 1	7.7413; 10.5757; 25.507 90; 98.727; 90	2064.1	Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M. Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds. Chemical science, 2022, 13, 6567-6572
1566998	CIF	C47 H28 B Cl F24	P -1	12.4688; 12.8052; 15.4127 79.663; 83.931; 69.083	2259.1	Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science, 2022, 13, 6532-6540
1566999	CIF	C47 H28 B Br F24	P -1	12.4957; 12.7882; 15.4855 79.453; 83.941; 69.043	2269.6	Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science, 2022, 13, 6532-6540
1567000	CIF	C47 H28 B F24 I	P -1	12.5291; 12.8808; 15.7078 79.342; 83.823; 68.734	2319.4	Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science, 2022, 13, 6532-6540
1567001	CIF	C3 H4 K Li O5	P n a 21	8.5885; 7.5236; 9.3685 90; 90; 90	605.36	Cao, Liling; Tian, Haotian; Lin, Donghong; Lin, Chensheng; Xu, Feng; Han, Yinglei; Yan, Tao; Chen, Jindong; Li, Bing-Xuan; Ye, Ning; Luo, Min Flexible Functional Module Regulate Ultraviolet Optical Nonlinearity Achieving a Balance between Second-harmonic Generation Response and Birefringence Chemical Science, 2022
1567002	CIF	C13 H18 B Cu F4 N4	P -1	7.9267; 10.4752; 10.6827 107.079; 100.319; 102.013	801.49	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567003	CIF	C31 H22 B Cu F18 N6	P 1 21/m 1	11.064; 13.6074; 11.4278 90; 91.989; 90	1719.44	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567004	CIF	C22 H16 Ag B F6 N4	P 1 21/n 1	14.6979; 10.2199; 15.7068 90; 105.812; 90	2270.06	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567005	CIF	C22 H16 B Cu F6 N4	P -1	10.1272; 10.3873; 12.0427 75.542; 65.639; 76.936	1106.56	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567006	CIF	C13 H18 Ag F6 N4 Sb	P 1 21/n 1	11.724; 12.2179; 12.8999 90; 93.091; 90	1845.13	Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science, 2022, 13, 7190-7203
1567007	CIF	C156 H144 Cl6 N12 O6	P 1 21 1	13.9655; 39.9035; 15.4673 90; 100.516; 90	8474.7	Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components Chemical Science, 2022
1567008	CIF	C156 H144 Cl6 N12 O6	P 1 21 1	14.1106; 40.2961; 15.5297 90; 101.091; 90	8665.3	Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components Chemical Science, 2022
1567009	CIF HKL Paper	C21 H18 Br2 N4	F d d 2	18.0776; 48.2301; 4.5424 90; 90; 90	3960.45	Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W. 1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide IUCrData, 2022, 7, x220526
1567010	CIF HKL Paper	C25 H26 Br2 N4 O2	P n m a	15.4863; 22.2936; 7.21 90; 90; 90	2489.22	Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W. 1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate IUCrData, 2022, 7, x220525
1567011	CIF HKL Paper	C19 H21 I O6 S	P 1 21/c 1	6.1823; 24.9509; 12.7606 90; 100.257; 90	1936.92	Smith, Timothy J.; Koser, Gerald; Chen, Yi; Zeller, Matthias; Iacino, Rocco; Selzer, Nichole (Phenyliodosyl)benzene tosylate dihydrate IUCrData, 2022, 7, x220522
1567012	CIF	C72 H108 Br2 I2 N36 O36	P 1 21/n 1	14.3431; 16.633; 20.226 90; 97.151; 90	4787.8	Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions Chemical Science, 2022, 13, 7247-7255
1567013	CIF	C24 H40 Br2 Cl2 N4 O10	P -1	6.6366; 6.8219; 19.554 82.484; 87.519; 68.781	818.2	Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions Chemical Science, 2022, 13, 7247-7255
1567014	CIF	C12 H10 Cl2 N6 Zn	P 1 21/n 1	7.5599; 13.9242; 13.8315 90; 92.303; 90	1454.8	Zhou, Bo; Yan, Dongpeng Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides Chemical Science, 2022
1567015	CIF	C12 H10 Br2 N6 Zn	P 1 21/n 1	7.8171; 14.4787; 13.5772 90; 94.249; 90	1532.46	Zhou, Bo; Yan, Dongpeng Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides Chemical Science, 2022
1567016	CIF	C16 H15 Cl2 N4 Zn	P -1	7.5306; 8.4502; 14.2634 106.449; 92.468; 101.093	849.64	Zhou, Bo; Yan, Dongpeng Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides Chemical Science, 2022
1567017	CIF	C17 H22 N4 S	P -1	5.6168; 8.175; 39.0525 87.102; 88.922; 73.34	1715.7	Shangguan, Zhichun; Sun, Wenjin; Zhang, Zhao-Yang; Fang, Dong; Wang, Zhihang; Wu, Si; Deng, Chao; Huang, Xianhui; He, Yixin; Wang, Ruzhu; Li, Tingxian; Moth-Poulsen, Kasper; Li, Tao A rechargeable molecular solar thermal system below 0 °C Chemical Science, 2022
1567018	CIF	C11 H12 N4 S	P 1 21/c 1	10.1876; 9.2946; 12.4426 90; 104.262; 90	1141.9	Shangguan, Zhichun; Sun, Wenjin; Zhang, Zhao-Yang; Fang, Dong; Wang, Zhihang; Wu, Si; Deng, Chao; Huang, Xianhui; He, Yixin; Wang, Ruzhu; Li, Tingxian; Moth-Poulsen, Kasper; Li, Tao A rechargeable molecular solar thermal system below 0 °C Chemical Science, 2022
1567019	CIF	C12 H13 F2 N O	P 21 21 21	7.32492; 7.77679; 18.6427 90; 90; 90	1061.97	Noten, Efrey A.; McAtee, Rory C.; Stephenson, Corey R. J. Catalytic intramolecular aminoarylation of unactivated alkenes with aryl sulfonamides Chemical Science, 2022
1567020	CIF	C36 H22 Br3 N10	P -1	7.2378; 7.7475; 17.8746 83.578; 83.241; 67.104	914.53	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567021	CIF	C31 H10 N9	P 1 21/c 1	13.2712; 12.5807; 7.7388 90; 90.466; 90	1292.03	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567022	CIF	C31 H10 N9	P 1 21/c 1	13.3766; 12.8023; 7.7861 90; 90.396; 90	1333.35	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567023	CIF	C30 H15 I N9	P 1	7.168; 7.6291; 13.6797 78.422; 83.441; 69.68	686.44	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567024	CIF	C31 H16 Br2 N9	P -1	8.0361; 13.0398; 14.2071 92.624; 98.576; 104.767	1418	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567025	CIF	C31 H17 N9	P 1 21/c 1	13.0864; 25.3377; 7.8403 90; 92.651; 90	2596.9	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567026	CIF	C48 H26 N14	P -1	7.8212; 9.7542; 13.2653 78.103; 75.829; 82.246	956.32	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567027	CIF	C36 H22 Br2 I N10	P -1	7.5693; 13.03; 18.5239 105.159; 90.971; 98.382	1741.66	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567028	CIF	C30 H14 Br2 N9	P -1	6.6911; 7.8201; 27.6491 97.673; 90.168; 108.973	1354.23	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567029	CIF	C30 H16 N9	P -1	7.7274; 13.1422; 13.3145 99.902; 106.251; 97.225	1256.99	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567030	CIF	C29 H8 N9	P -1	7.2867; 7.7545; 13.1305 92.616; 103.414; 113.979	651.19	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567031	CIF	C36 H16 N10	P -1	7.1249; 7.6572; 14.4249 89.017; 83.589; 68.34	726.6	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567032	CIF	C36 H16 N10	P -1	7.2179; 7.6887; 14.5445 89.176; 82.57; 69.284	748.2	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567033	CIF	C15 H9 N5	P -1	7.0634; 7.8154; 13.468 73.628; 89.55; 67.258	653.56	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567034	CIF	C15 H9 N5	P -1	7.1924; 7.8489; 13.617 106.174; 90.739; 112.525	675.74	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567035	CIF	C37 H20 N9 O	P -1	9.1474; 11.3666; 15.9321 106.234; 91.277; 99.804	1562.98	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567036	CIF	C16 H8 N5	P -1	7.5381; 8.013; 13.3368 103.618; 90.811; 115.727	699.07	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567037	CIF	C30 H15 I N9	P 1	7.0735; 7.8171; 13.8419 74.353; 88.928; 67.934	680.1	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9
1567038	CIF	C29 H22 Cl N O	P 1 21/n 1	16.7731; 7.1332; 19.2367 90; 104.828; 90	2224.95	Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group Chemical Science, 2022, 13, 7347-7354
1567039	CIF	C25 H29 Cl N O Rh	P 1 21/c 1	18.7457; 7.7279; 31.217 90; 93.528; 90	4513.68	Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group Chemical Science, 2022, 13, 7347-7354
1567040	CIF	C37 H38 N2 O4 S	P 1 21/c 1	9.018; 20.697; 17.164 90; 98.38; 90	3169	Jiang, Kun; Li, Shi-Jun; Liu, Qing-Peng; Yu, Ning; Li, Yu-Lin; Zhou, Yu-Qiang; He, Kui-Cheng; Lin, Jing; Zheng, Ting-Yu; Lang, Jian; Lan, Yu; Wei, Ye Iminyl radical-triggered relay annulation for the construction of bridged aza-tetracycles bearing four contiguous stereogenic centers Chemical Science, 2022, 13, 7283-7288
1567041	CIF	C19.36 H13.07 Br0.64 N O	P 1 21/n 1	11.5265; 10.1543; 12.3229 90; 95.063; 90	1436.69	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567042	CIF	C19.47 H13.41 Br0.53 N O	P 1 21/n 1	11.5657; 10.1316; 12.3187 90; 95.031; 90	1437.93	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567043	CIF	C19.44 H13.32 Br0.56 N O	P 1 21/n 1	11.568; 10.1429; 12.3305 90; 95.097; 90	1441.05	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567044	CIF	C19.56 H13.67 Br0.44 N O	P 1 21/n 1	11.585; 10.11; 12.3005 90; 94.882; 90	1435.46	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567045	CIF	C19.81 H14.44 Br0.19 N O	P 1 21/n 1	11.603; 10.0711; 12.3038 90; 94.846; 90	1432.62	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567046	CIF	C19.91 H14.74 Br0.09 N O	P 1 21/n 1	11.6141; 10.0515; 12.2961 90; 94.745; 90	1430.52	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567047	CIF	C19.71 H14.14 Br0.29 N O	P 1 21/n 1	11.5964; 10.0911; 12.308 90; 94.854; 90	1435.1	Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys Chemical Science, 2022
1567048	CIF	C53 H37 N11 O4	P 1	10.1334; 10.2002; 11.4807 93.3946; 99.9779; 107.948	1103.79	Gorai, Tumpa; Lovitt, June I.; Umadevi, Deivasigamani; McManus, Gavin; Gunnlaugsson, Thorfinnur Hierarchical supramolecular co-assembly formation employing multi-component light-harvesting charge transfer interactions giving rise to long-wavelength emitting luminescent microspheres. Chemical science, 2022, 13, 7805-7813
1567049	CIF	C37.75 H43.75 Cl5.25 N6 O6	P 1	12.733; 13.433; 14.738 63.059; 71.223; 73.702	2100.3	Al Kelabi, Dana; Dey, Avishek; Alimi, Lukman O.; Piwoński, Hubert; Habuchi, Satoshi; Khashab, Niveen M. Photostable polymorphic organic cages for targeted live cell imaging Chemical Science, 2022, 13, 7341-7346
1567050	CIF	C15 H21 B11	P 1 21 1	6.7358; 11.9489; 11.5149 90; 103.165; 90	902.42	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567051	CIF	C21 H30 B11 O	P -1	7.8822; 11.7078; 13.388 105.252; 90.534; 92.608	1190.45	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567052	CIF	C25 H25 B Br N	P -1	9.2177; 10.2602; 13.2793 107.932; 90.235; 114.595	1073.71	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567053	CIF	C28 H37 B11 N2	P 1 21/c 1	13.6036; 13.3357; 16.4811 90; 96.337; 90	2971.63	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567054	CIF	C23 H28 B11 Br	P 21 21 21	8.9395; 9.8238; 29.8355 90; 90; 90	2620.15	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567055	CIF	C24 H36 B11	P 1 21/n 1	12.6143; 21.4357; 13.0722 90; 116.555; 90	3161.79	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567056	CIF	C19 H29 B11 O	P 42/n :2	27.0865; 27.0865; 12.6873 90; 90; 90	9308.4	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567057	CIF	C28 H33 B Br N2	C 1 2/c 1	39.182; 9.7414; 13.0827 90; 93.923; 90	4981.8	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567058	CIF	C23 H29 B Br N	P -1	9.1163; 9.2445; 14.8961 92.922; 107.409; 114.918	1063.39	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567059	CIF	C28 H37 B11 Br N	P -1	9.6639; 9.8598; 17.3492 84.8; 80.733; 68.625	1518.39	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567060	CIF	C23 H29 B11	P 1 21/c 1	15.9256; 12.1813; 24.8883 90; 97.611; 90	4785.66	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567061	CIF	C32 H38 B11 N	P 1 21 1	12.3347; 21.712; 13.3034 90; 115.859; 90	3206.05	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567062	CIF	C26 H42 B11 N	P -1	15.8288; 16.0876; 21.5724 94.138; 92.684; 106.677	5235.45	Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene Chemical Science, 2022
1567063	CIF	C192 H242 Cl2 Cu18 P4 S12	P 1 21/c 1	19.2184; 47.4362; 24.0097 90; 100.521; 90	21520.4	Mandal, Sukhendu; Das, Anish Kumar; Biswas, Sourav; Wani, Vaibhav Shridhar; Nair, Akhil S.; Pathak, Biswarup [Cu18H3(S-Adm)12(PPh3)4Cl2]: Fusion of Platonic and Johnson Solids Through Cu(0) Center and Its Photophysical Properties Chemical Science, 2022
1567064	CIF	C70 H89 N O12	F d d d :2	12.556; 26.6378; 45.7727 90; 90; 90	15309.3	Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals Chemical Science, 2022
1567065	CIF	C70 H92 O13	P 1 2/n 1	12.5731; 22.6648; 14.4358 90; 113.995; 90	3758.2	Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals Chemical Science, 2022
1567066	CIF	C61 H83.5 N1.5 O10	P -1	14.9616; 16.3732; 24.4025 109.598; 98.054; 90	5568.9	Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals Chemical Science, 2022
1567067	CIF	C20 H34 Br2 S2 Si6	C 1 2/c 1	22.243; 8.33206; 18.2305 90; 113.89; 90	3089.19	Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S. Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials Chemical Science, 2022
1567068	CIF	C26 H44 O2 Si6	P 1 21/c 1	10.3662; 11.2796; 14.0764 90; 91.466; 90	1645.37	Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S. Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials Chemical Science, 2022
1567069	CIF	C24 H40 Si6	P 1 21/c 1	36.335; 6.64881; 18.7594 90; 95.565; 90	4510.62	Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S. Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials Chemical Science, 2022
1567070	CIF	C30 H58 Si10	P -1	8.8909; 13.8639; 37.001 86.116; 83.625; 81.6	4477.9	Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S. Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials Chemical Science, 2022
1567071	CIF	C17 H15 N O2	P 1 21 1	9.65133; 11.74209; 25.3227 90; 90.6825; 90	2869.54	Liu, Teng; Ni, Shaofei; Guo, Wusheng Practical asymmetric amine nucleophilic approach for the modular construction of protected α-quaternary amino acids Chemical Science, 2022
1567072	CIF	C18 H17 N5 O5	P 1 21 1	7.1241; 34.022; 7.3539 90; 90.288; 90	1782.4	Zhang, Dequan; Wen, Jialin; Zhang, Xumu Construction of a quaternary stereogenic center by asymmetric hydroformylation: a straightforward method to prepare chiral α-quaternary amino acids Chemical Science, 2022, 13, 7215-7223
1567073	CIF	C48 H45 Cl N2 Pd	P 21 21 21	11.191; 18.5238; 21.495 90; 90; 90	4455.9	Lu, Zhou; Liao, Yudan; Fan, Weigang; Dai, Shengyu Efficient suppression of the chain transfer reaction in ethylene coordination polymerization with dibenzosuberyl substituents Polymer Chemistry, 2022, 13, 4090-4099
1567074	CIF	C32 H30 Br2 Cl2 N2 O6 Pd2	P 1 21/c 1	13.9156; 3.92009; 30.0833 90; 102.038; 90	1604.97	Bermúdez-Puente, Brais; Adrio, Luis A.; Lucio-Martínez, Fátima; Reigosa, Francisco; Ortigueira, Juan M.; Vila, José M. Imine Palladacycles: Synthesis, Structural Analysis and Application in Suzuki–Miyaura Cross Coupling in Semi-Aqueous Media Molecules, 2022, 27, 3146
1567075	CIF	C24 H21 Cl N4 O2	P -1	8.7215; 10.1275; 12.8202 101.771; 103.693; 90.843	1074.68	Govdi, Anastasia I.; Tokareva, Polina V.; Rumyantsev, Andrey M.; Panov, Maxim S.; Stellmacher, Johannes; Alexiev, Ulrike; Danilkina, Natalia A.; Balova, Irina A. 4,5-Bis(arylethynyl)-1,2,3-triazoles-A New Class of Fluorescent Labels: Synthesis and Applications. Molecules (Basel, Switzerland), 2022, 27, 3191
1567076	CIF	C111 H127 N11 O4	P -1	14.7293; 18.9653; 22.0241 66.815; 72.348; 74.252	5307.4	Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science, 2022, 13, 7276-7282
1567077	CIF	C109 H121 B4 F8 N11 O5	P 21 21 21	17.2251; 23.1997; 28.8441 90; 90; 90	11526.6	Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science, 2022, 13, 7276-7282
1567078	CIF	C111 H129 B2 Cl4 F4 N11 O5	P b c n	38.9356; 18.8132; 29.4619 90; 90; 90	21580.9	Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science, 2022, 13, 7276-7282
1567079	CIF	C104 H104 B3 F6 N11	P -1	12.9759; 17.3; 23.1532 82.59; 81.602; 76.517	4975.7	Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science, 2022, 13, 7276-7282
1567080	CIF	C38 H60 B2 N4 O4	P 1 21/n 1	8.465; 16.1068; 13.6527 90; 95.327; 90	1853.43	Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions. Chemical science, 2022, 13, 8321-8333
1567081	CIF	C20 H36 B I N4 O2	P 1 2/c 1	13.3858; 14.2988; 13.1709 90; 109.65; 90	2374.11	Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions. Chemical science, 2022, 13, 8321-8333
1567082	CIF HKL Paper	C17 H20 N2 O4	C 1 2/c 1	23.0488; 8.1149; 18.3223 90; 104.454; 90	3318.5	Zaoui, Younes; Assila, Hamza; Mague, Joel T.; Alsubari, Abdulsalam; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate IUCrData, 2022, 7, x220582
1567083	CIF HKL Paper	C7 H7 Br2 N	P 21 21 21	4.3773; 13.585; 14.057 90; 90; 90	835.9	Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali 2,6-Dibromo-4-methylaniline IUCrData, 2022, 7, x220577
1567084	CIF	C24 H58 Cl10 Cr2 N10 P4	P 1 21/c 1	11.9522; 13.5271; 14.8191 90; 104.592; 90	2318.65	Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P. Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation Catalysis Science & Technology, 2022, 12, 4544-4551
1567085	CIF	C32 H72 Cr2 Li4 O4	P c c n	9.9307; 17.6625; 22.0161 90; 90; 90	3861.6	Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P. Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation Catalysis Science & Technology, 2022, 12, 4544-4551
1567086	CIF	C24 H58 Cl10 Cr2 N10 P4	P 1 21/c 1	9.3625; 12.7925; 19.2108 90; 96.406; 90	2286.51	Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P. Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation Catalysis Science & Technology, 2022, 12, 4544-4551
1567087	CIF	C45 H60 Cl2 N2 O4 S2	P -1	13.984; 14.07; 14.277 61.576; 82.569; 62.486	2176.2	Ning, Chao; Rui, Kang-Hua; Wei, Yin; Shi, Min Rh(i)-catalyzed dimerization of ene-vinylidenecyclopropanes for the construction of spiro[4,5]decanes and mechanistic studies Chemical Science, 2022, 13, 7310-7317
1567088	CIF	C13 H14 Cl I O2	P 21 21 21	8.9639; 11.1228; 13.259 90; 90; 90	1321.97	Payne, Jenna L.; Deng, Zihang; Flach, Andrew L.; Johnston, Jeffrey N. Enantioselective iodolactonization to prepare ε-lactone rings using hypervalent iodine Chemical Science, 2022, 13, 7318-7324
1567089	CIF	C17 H23 B O3	P c c n	21.7236; 13.8308; 10.9428 90; 90; 90	3287.8	Cheng, Tairan; Liu, Boxiang; Wu, Rui; Zhu, Shifa Cu-Catalyzed Carboboration of Acetylene with Michael Acceptors Chemical Science, 2022
1567090	CIF	C12 H6 Ga O5	P 42/n m c :2	21.57; 21.57; 6.7 90; 90; 90	3117.3	Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks IUCrJ, 2022, 9
1567091	CIF	C57 H99 Fe K N5 O6 Si2	P 1 21/c 1	11.9424; 24.7899; 22.9964 90; 95.974; 90	6771.1	Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science, 2022, 13, 7907-7913
1567092	CIF	C39 H63 Fe N3 Si2	P b c a	19.2646; 16.7587; 24.952 90; 90; 90	8055.7	Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science, 2022, 13, 7907-7913
1567093	CIF	C48 H88 Fe K N4 O6 Si2	P 1 21/n 1	18.281; 14.0555; 22.1239 90; 106.298; 90	5456.3	Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science, 2022, 13, 7907-7913
1567094	CIF	C58 H99 Fe K N5 O6 S2 Si2	P 1 21/c 1	13.8538; 24.6616; 23.5229 90; 90.755; 90	8036.1	Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science, 2022, 13, 7907-7913
1567095	CIF	C35 H24 N2 O9 S4	P 1 21/c 1	12.807; 13.731; 20.965 90; 110.6; 90	3451.02	Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives. Chemical science, 2022, 13, 7886-7891
1567096	CIF	C8 H7.33 Br2 O0.67	P 1 21/m 1	7.6142; 7.1461; 12.6645 90; 106.526; 90	660.63	Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives. Chemical science, 2022, 13, 7886-7891
1567097	CIF	C19 H13 N3 O	P -1	6.1025; 8.5817; 14.6868 86.201; 80.086; 76.138	735.34	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567098	CIF	C21 H13 F3 N2 O	P 1 21/c 1	12.0851; 7.7428; 19.0267 90; 102.465; 90	1738.41	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567099	CIF	C22 H19 N3 O	I 1 2/a 1	21.1606; 7.1694; 25.5604 90; 110.862; 90	3623.5	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567100	CIF	C17 H13 Cl N2 O	C 1 c 1	5.7112; 23.177; 10.865 90; 90.891; 90	1438	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567101	CIF	C27 H17 N3 O	P 1 21/n 1	11.3712; 9.205; 19.1767 90; 104.402; 90	1944.18	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567102	CIF	C21 H16 N2 O	P 21 21 21	7.4535; 11.5915; 18.893 90; 90; 90	1632.3	Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087
1567103	CIF	C174 H177.6 Cl24 N24 O4.46 Pd12	P 1 21 1	14.2647; 52.2312; 19.5113 90; 91.295; 90	14533.4	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567104	CIF	C88.2 H87.46 Cl12 N13.37 O2.7 Pd6 S0.37	P 1 21/c 1	19.5405; 51.9315; 14.3152 90; 90.587; 90	14525.8	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567105	CIF	C89.25 H90.25 Cl21.75 N13 O2 Pd6	P 1 21/c 1	19.4857; 51.838; 14.3167 90; 90.706; 90	14460.2	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567106	CIF	C86 H87 Cl12 N13 O Pd6	P 1 21/c 1	19.6017; 52.3627; 14.3397 90; 90.6; 90	14717.4	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567107	CIF	C179.1 H185.56 Cl24 N25 O2 Pd12	P 1 21 1	14.3205; 50.1973; 19.4935 90; 91.679; 90	14006.9	He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks Chemical Science, 2022
1567108	CIF	C42 H36 Ag13 F18 N6 O18 S6	P -1	14.0332; 15.3545; 22.418 82.805; 84.35; 88.156	4768.2	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567109	CIF	C14 H14 F6 N2 O6 S2	P -1	6.8729; 8.3071; 8.8774 77.25; 88.991; 75.454	478.12	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567110	CIF	C51 H50 Ag F9 N16 O9 S3	P 1 21/c 1	13.6223; 29.4112; 17.5734 90; 111.122; 90	6567.72	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567111	CIF	C62 H55 Ag5 F9 N17 O9 S3	C 1 2/c 1	38.1353; 21.9159; 25.6721 90; 129.97; 90	16443.4	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567112	CIF	C59 H57 Ag5 F9 N17 O9 S3	P -1	14.8014; 22.3158; 24.83 84.932; 76.949; 73.121	7643.2	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567113	CIF	C57 H53 Ag5 F9 N17 O9 S3	I 1 2/a 1	25.7535; 24.5293; 24.9163 90; 91.174; 90	15736.7	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567114	CIF	C18 H22 F6 N2 O6 S2	P -1	9.0344; 12.927; 15.428 85.714; 87.099; 87.475	1792.99	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567115	CIF	C72 H48 Ag13 F18 N6 O18 S6	F d d d :2	16.1557; 30.2077; 58.888 90; 90; 90	28739	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103
1567116	CIF Paper	C25.5 H26 N2 O9 S	P 41 21 2	12.9189; 12.9189; 29.4056 90; 90; 90	4907.74	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567117	CIF Paper	C51 H53 N4 O18 S2	P 41 21 2	12.917; 12.917; 29.3859 90; 90; 90	4903	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567118	CIF Paper	C25.5 H25.5 N2 O8.5 S	P 41 21 2	12.9076; 12.9076; 29.467 90; 90; 90	4909.38	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567119	CIF Paper	C25.5 H28 N2 O7.5 S	P 41 21 2	12.8885; 12.8885; 29.5227 90; 90; 90	4904.12	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567120	CIF Paper	C25 H26.5 Br0.5 N2 O7 S	P 41 21 2	12.8625; 12.8625; 29.5499 90; 90; 90	4888.85	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567121	CIF Paper	C33.33 H35.33 Cl0.67 N2.67 O9.33 S1.33	P 41 21 2	12.8788; 12.8788; 29.3261 90; 90; 90	4864.13	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567122	CIF Paper	C50 H48 F6 N4 O14 S2	P 41 21 2	12.8425; 12.8425; 29.4534 90; 90; 90	4857.74	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567123	CIF Paper	C50 H53 I N4 O14 S2	P 41 21 2	12.9104; 12.9104; 29.4495 90; 90; 90	4908.6	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567124	CIF Paper	C53 H60 N4 O14 S2	P 41 21 2	13.2792; 13.2792; 28.2737 90; 90; 90	4985.7	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567125	CIF Paper	C26 H29 N2 O7 S	P 41 21 2	12.9696; 12.9696; 29.2499 90; 90; 90	4920.14	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567126	CIF Paper	C50 H52 N6 O15 S2	P 41 21 2	12.8876; 12.8876; 29.4547 90; 90; 90	4892.14	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567127	CIF Paper	C50 H53 N5 O16 S2	P 41 21 2	12.9268; 12.9268; 29.3204 90; 90; 90	4899.5	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567128	CIF Paper	C26 H30.5 N2 O7 S	P 41 21 2	13.185; 13.185; 28.593 90; 90; 90	4970.73	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567129	CIF Paper	C51 H53 N4 O17 S2	P 41 21 2	12.9133; 12.9133; 29.3418 90; 90; 90	4892.84	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567130	CIF Paper	C51 H54 F3 N4 O14 S2	P 41 21 2	12.9492; 12.9492; 29.6806 90; 90; 90	4976.9	Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9
1567131	CIF	C80 H13 N10 Pd7 Sn4	P 1 21/c 1	14.2023; 26.2964; 12.15252 90; 94.3571; 90	4525.48	Kojima, Naoya; Kato, Misaki; Sunada, Yusuke Discrete palladium clusters that consist of two mutually bisecting perpendicular planes Chemical Science, 2022
1567132	CIF	C74 H90 Ge6 N10 O2 Pd8	P -1	13.6964; 14.4844; 14.7143 73.065; 62.695; 82.678	2481.29	Kojima, Naoya; Kato, Misaki; Sunada, Yusuke Discrete palladium clusters that consist of two mutually bisecting perpendicular planes Chemical Science, 2022
1567133	CIF	C17 H21 N O2	P -1	8.1149; 9.1915; 10.8628 68.232; 78.44; 81.264	734.51	Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light. Chemical science, 2022, 13, 7947-7954
1567134	CIF	C31 H32 Co N5 O4 Sn	P b c a	15.0187; 14.1539; 30.0583 90; 90; 90	6389.6	Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light. Chemical science, 2022, 13, 7947-7954
1567135	CIF	C30 H90 Ge9 P Rh Si12	P 1 21/c 1	14.4411; 25.5519; 18.9046 90; 101.771; 90	6829.06	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567136	CIF	C86 H130 B F24 Ge9 P Rh Si12	P -1	15.0839; 19.3502; 21.6497 106.313; 96.757; 92.771	6000.52	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567137	CIF	C40 H107 Ge9 N2 Rh Si12	P -1	16.3622; 19.8996; 25.9438 68.56; 79.856; 82.113	7715.4	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567138	CIF	C73 H116 B F24 Ge9 O Rh Si12 W	P 1 21/c 1	17.9023; 13.8042; 44.4206 90; 96.969; 90	10896.4	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567139	CIF	C37 H93 Ge9 Rh Si12 W	P 1 21/c 1	14.2783; 25.643; 19.8461 90; 101.575; 90	7118.64	Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 Chemical Science, 2022
1567140	CIF	C12 H12 N4 Ni O4 S	C 1 c 1	28.3729; 6.5464; 7.3531 90; 97.1; 90	1355.29	González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry, 2022, 46, 14786-14792
1567141	CIF	C12 H16 N4 Ni O4 S	I 1 2/a 1	23.012; 6.0848; 10.6386 90; 91.194; 90	1489.3	González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry, 2022, 46, 14786-14792
1567142	CIF	C6 H8 N2 Ni O4 S	C m c m	6.476; 7.2221; 16.615 90; 90; 90	777.09	González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry, 2022, 46, 14786-14792
1567143	CIF	C24 H18 Br2 O2	P 1 21/c 1	10.087; 24.117; 10.137 90; 119.385; 90	2148.7	Samultceva, Sofia O.; Dvorko, Marina Yu.; Shabalin, Dmitrii A.; Ushakov, Igor’ A.; Vashchenko, Alexander V.; Schmidt, Elena Yu.; Trofimov, Boris A. Regio- and stereoselective base-catalyzed assembly of 6-methylene-5-oxaspiro[2.4]heptanones from alkynyl cyclopropyl ketones Organic & Biomolecular Chemistry, 2022, 20, 5325-5333
1567144	CIF HKL Paper	C32 H72 Cl12 I2 Nb6 O12	P b c a	19.3389; 18.1968; 34.039 90; 90; 90	11978.5	Schröder, Florian; Köckerling, Martin Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate IUCrData, 2022, 7, x220618
1567145	CIF	C102 H148 Ag16 Cl F15 N4 O16 S9	P -1	17.2901; 17.3047; 29.001 94.002; 97.603; 119.287	7410.1	Das, Anish Kumar; Biswas, Sourav; Manna, Surya Sekhar; Pathak, Biswarup; Mandal, Sukhendu An atomically precise silver nanocluster for artificial light-harvesting system through supramolecular functionalization. Chemical science, 2022, 13, 8355-8364
1567146	CIF	C23 H42 Cl Ir N4 O P2	P 1 21/c 1	17.533; 8.1217; 21.3907 90; 111.63; 90	2831.5	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567147	CIF	C23 H42 I Ir N4 O P2	P 1 21/c 1	17.9499; 8.1504; 21.5003 90; 110.968; 90	2937.18	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567148	CIF	C25 H44 Cl3 Ir N4 O P2	P 1 21/n 1	11.9445; 10.1985; 25.8721 90; 94.016; 90	3143.9	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567149	CIF	C48 H89 F2 Ir2 N9 O3 P4	P -1	11.8995; 16.0723; 17.0807 67.203; 75.219; 89.306	2898.06	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567150	CIF	C25 H48 F6 Ir N4 O P3	P -1	13.2443; 16.1281; 16.2491 77.427; 82.219; 84.357	3347.95	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567151	CIF	C23 H42 Br Ir N4 O P2	P 1 21/c 1	17.7005; 8.1175; 21.384 90; 111.189; 90	2864.81	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567152	CIF	C23 H42 F6 Ir N4 O P3	P 1 21/c 1	12.0735; 10.6615; 23.5954 90; 92.963; 90	3033.18	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567153	CIF	C26 H45.5 Ir N5.5 O P2	P b c a	26.0183; 23.433; 31.3406 90; 90; 90	19107.9	Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science, 2022, 13, 7837-7845
1567154	CIF	C60 H84 Ag12 F18 N3 O19 S30	P 1 21/n 1	15.6815; 15.1285; 48.3672 90; 98.426; 90	11350.7	Cheng, Xun; Zhong, Rui-Ru; Yuan, Shang-Fu; Guan, Zong-Jie; Liu, Kuan-Guan Compact Accumulation of Superatomic Silver Nanoclusters with Octahedral Ag6 Core Ligated by Trithiane Nanoscale, 2022
1567155	CIF	C20 H24 Ag6 F12 O8 S12	C 1 2/c 1	26.1584; 10.0265; 19.8095 90; 128.008; 90	4093.7	Cheng, Xun; Zhong, Rui-Ru; Yuan, Shang-Fu; Guan, Zong-Jie; Liu, Kuan-Guan Compact Accumulation of Superatomic Silver Nanoclusters with Octahedral Ag6 Core Ligated by Trithiane Nanoscale, 2022
1567156	CIF	C30 H27 N O5 S	P 21 21 21	9.4559; 16.0249; 16.2168 90; 90; 90	2457.33	Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones Chemical Science, 2022, 13, 8576-8582
1567157	CIF	C30 H25 N O4 S	P 21 21 21	9.6145; 18.9746; 26.9615 90; 90; 90	4918.62	Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones Chemical Science, 2022, 13, 8576-8582
1567158	CIF	C26 H30 N2 O4	P -1	4.85556; 6.47166; 19.94656 92.1464; 95.834; 104.227	603.153	de Oliveira Martins, Inês; Marin, Francesco; Modena, Enrico; Maini, Lucia On the crystal forms of NDI-C6: annealing and deposition procedures to access elusive polymorphs. Faraday discussions, 2022, 235, 490-507
1567159	CIF	C56 H37 Co N5 P	P -1	9.7214; 12.92; 17.269 77.514; 83.542; 79.876	2078.5	Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles Catalysis Science & Technology, 2022, 12, 5125-5135
1567160	CIF	C57 H36 Co N6 P	P -1	14.3899; 16.2551; 19.6213 91.265; 108.634; 94.679	4328.9	Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles Catalysis Science & Technology, 2022, 12, 5125-5135
1567161	CIF	C29 H29 B2 Cl2 N2 P Ru S3	P 1 21/n 1	9.9824; 23.4742; 13.6413 90; 94.6068; 90	3186.2	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science, 2022, 13, 8567-8575
1567162	CIF	C32 H45 B2 N2 P Ru S5	P 1 21/c 1	17.2497; 15.0068; 19.7663 90; 115.089; 90	4634	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science, 2022, 13, 8567-8575
1567163	CIF	C33 H36 B2 Cl2 N2 Ru S4	P -1	8.1421; 9.038; 11.991 91.746; 95.358; 91.618	877.7	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science, 2022, 13, 8567-8575
1567164	CIF	C40 H47 Cl2 N3 P Ru S6	C 1 2/c 1	43.162; 11.6075; 17.077 90; 94.107; 90	8533.7	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science, 2022, 13, 8567-8575
1567165	CIF	C16 H14 O2	P 21 21 21	5.247; 8.2089; 28.1307 90; 90; 90	1211.65	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567166	CIF	C12 H12 O3	P 21 21 21	8.796; 10.4133; 10.7857 90; 90; 90	987.92	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567167	CIF	C16 H14 O2	P 21 21 21	5.9107; 13.8035; 15.3174 90; 90; 90	1249.72	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567168	CIF	C14 H12 O2	P 21 21 21	8.6793; 22.7043; 11.0413 90; 90; 90	2175.77	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567169	CIF	C14 H17 Br O5	P -1	7.8803; 9.7157; 10.6212 94.241; 94.434; 111.794	748.16	Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science, 2022, 13, 8429-8435
1567170	CIF	C6 H12 N2 O4	C 1 2/c 1	20.8643; 4.5307; 8.748 90; 102.292; 90	807.99	Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A. Ductile gas barrier poly(ester–amide)s derived from glycolide Polymer Chemistry, 2022, 13, 3882-3891
1567171	CIF	C8 H16 N2 O4	P 1 21/c 1	8.1288; 7.536; 8.551 90; 113.285; 90	481.16	Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A. Ductile gas barrier poly(ester–amide)s derived from glycolide Polymer Chemistry, 2022, 13, 3882-3891
1567172	CIF	C10 H20 N2 O4	C 1 2/c 1	25.3633; 5.2161; 8.9982 90; 103.025; 90	1159.81	Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A. Ductile gas barrier poly(ester–amide)s derived from glycolide Polymer Chemistry, 2022, 13, 3882-3891
1567173	CIF	Fe2 O4 Zn	F d -3 m :2	8.44753; 8.44753; 8.44753 90; 90; 90	602.822	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567174	CIF	Fe2 Ni0.1 O4 Zn0.9	F d -3 m :2	8.4462; 8.4462; 8.4462 90; 90; 90	602.538	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567175	CIF	Fe2 Ni0.2 O4 Zn0.8	F d -3 m :2	8.4447; 8.4447; 8.4447 90; 90; 90	602.217	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567176	CIF	Fe2 Ni0.3 O4 Zn0.7	F d -3 m :2	8.4434; 8.4434; 8.4434 90; 90; 90	601.938	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567177	CIF	Fe2 Ni0.4 O4 Zn0.6	F d -3 m :2	8.4422; 8.4422; 8.4422 90; 90; 90	601.682	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567178	CIF	Fe2 Ni0.5 O4 Zn0.5	F d -3 m :2	8.4413; 8.4413; 8.4413 90; 90; 90	601.489	Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y. The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films Journal of Materials Science: Materials in Electronics, 2022, 33, 6273-6282
1567179	CIF	C12 H10 O2 Pb S2	P 1 21/c 1	15.1207; 5.2004; 7.6325 90; 95.5358; 90	597.372	Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines Catalysis Science & Technology, 2022, 12, 4851-4856
1567180	CIF	C6 H4 Pb S2	P 1 21/c 1	7.4789; 5.2068; 17.4623 90; 93.3828; 90	678.82	Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines Catalysis Science & Technology, 2022, 12, 4851-4856
1567182	CIF HKL Paper	C20 H70 N28 O34 V10	P -1	8.9701; 13.2202; 14.0861 99.609; 103.133; 107.676	1499	Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate IUCrData, 2022, 7, x220627
1567183	CIF HKL Paper	C8 H4 N4 Te2	P -1	7.6531; 11.7862; 16.8371 81.35; 85.884; 80.44	1478.9	Franklin, Donna; Lee, Aundrea; Fronczek, Frank R.; Junk, Thomas [1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine IUCrData, 2022, 7, x220622
1567184	CIF	C22 H56 Al O P Si4	P -1	9.05033; 11.72687; 16.30904 94.4336; 96.4467; 108.884	1615.45	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science, 2022, 13, 8088-8094
1567185	CIF	C23 H55 Al O3 P Si4	P 1 21/n 1	11.738; 28.6426; 11.8207 90; 119.12; 90	3471.9	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science, 2022, 13, 8088-8094
1567186	CIF	C30 H78 Al2 O4 Si8	P 1 21/n 1	14.912; 9.33098; 17.8266 90; 104.662; 90	2399.68	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science, 2022, 13, 8088-8094
1567187	CIF	C23 H58 Al O3 P Si4	P -1	12.51484; 16.89311; 17.04953 84.6973; 76.7333; 75.257	3390.6	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science, 2022, 13, 8088-8094
1567188	CIF	C28 H25 N3 O3	P 1 21/c 1	12.6477; 12.7165; 19.2801 90; 130.968; 90	2341.4	Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science, 2022, 13, 8131-8136
1567189	CIF	C11 H10 N O P S	P 1 21 1	8.8091; 14.2922; 15.6275 90; 97.274; 90	1951.69	Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science, 2022, 13, 8131-8136
1567190	CIF	C28 H26 N3 O3	P 1 21 1	8.647; 20.509; 8.854 90; 101.501; 90	1538.7	Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science, 2022, 13, 8131-8136
1567191	CIF	C29 H27 N3 O3	P 21 21 21	9.75496; 13.6686; 18.7757 90; 90; 90	2503.49	Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science, 2022, 13, 8131-8136
1567192	CIF	C144 H82 N12 O32 S6 Zr6	F d -3 m :2	39.3006; 39.3006; 39.3006 90; 90; 90	60701.2	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567193	CIF	C84 H44 N6 O16 S3 Zr3	F d -3 m :2	39.2392; 39.2392; 39.2392 90; 90; 90	60417.2	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567194	CIF	C14 H10 N6 S Zn	P 1 21/n 1	7.0203; 10.3506; 24.2607 90; 95.442; 90	1754.94	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567195	CIF	C12 H6 N6 S Zn	I 41	16.549; 16.549; 12.4563 90; 90; 90	3411.4	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567196	CIF	C112 H64 N16 O17 Se4 Zn4	P -1	10.4136; 15.0054; 15.7481 88.538; 87.931; 81.423	2431.19	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567197	CIF	C112 H64 N16 O17 S4 Zn4	P -1	10.4363; 15.0079; 15.7667 88.157; 88.133; 81.78	2441.9	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1567198	CIF	C18 H27 F3 N4 O7	P 1 21 1	18.0201; 14.3179; 18.0259 90; 111.026; 90	4341.2	Schnitzer, Tobias; Rackl, Jonas W.; Wennemers, Helma Stereoselective peptide catalysis in complex environments – from river water to cell lysates Chemical Science, 2022
1567199	CIF	C38 H84 Br0.6 Cl3.4 N2 Pt	P -1	7.5925; 8.1406; 20.0035 88.891; 80.802; 66.229	1115.54	Yamamoto, Eisuke; Suzuki, Akiko; Kobayashi, Makoto; Osada, Minoru Tailored Synthesis of Molecularly-Thin Platinum Nanosheets Using Designed 2D Surfactant Solids Nanoscale, 2022
1567201	CIF	C60 H144 Cs N3 O16 Si8 U2	P -1	14.1418; 16.3515; 22.1403 107.364; 92.5382; 108.194	4588.44	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567202	CIF	C67 H152 K3 N5 O16 Si8 U2	P 1 21/n 1	17.5895; 26.3839; 21.325 90; 99.763; 90	9753.2	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567203	CIF	C60 H144 Cs N3 O16 Si8 U2	P -1	13.9128; 16.1167; 21.8294 80.346; 83.8; 71.074	4557	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567204	CIF	C60 H144 Cs2 N3 O16 Si8 U2	P -1	13.707; 13.7678; 29.7454 94.2273; 97.0402; 117.487	4887.79	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567205	CIF	C72 H174 K2 N5 O14 Si10 U2	P 1 21/c 1	20.57855; 19.40862; 26.9671 90; 91.6235; 90	10766.4	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567206	CIF	C49.2 H129 K N5 O8.3 Si10 U2	P 1 21/n 1	12.81649; 23.44652; 27.38157 90; 100.985; 90	8077.44	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567207	CIF	C66 H162 K6 N6 O16 Si10 U2	P 1 21/n 1	15.102; 29.934; 27.0037 90; 99.035; 90	12055.9	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567208	CIF	C84 H198 K2 N9 O20 Si10 U2	P -1	13.8976; 14.741; 18.5692 106.635; 103.811; 95.243	3487.04	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567209	CIF	C60 H144 K N3 O16 Si8 U2	P -1	14.1046; 16.153; 22.2432 108.265; 92.266; 107.449	4540.8	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567210	CIF	C96 H234 K6 N10 O24 Si14 U4	P -1	13.65686; 17.961; 20.0238 93.8055; 91.6994; 112.135	4531.67	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567211	CIF	C36 H90 K N2 O8 Si6 U	P -1	13.5839; 20.4057; 22.3874 66.602; 83.686; 85.153	5655	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567212	CIF	C66 H158 K2 N3 O16 Si8 U2	P 1 21/c 1	14.10134; 30.68723; 46.2387 90; 92.8994; 90	19983.3	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science, 2022, 13, 8025-8035
1567216	CIF	O4 W Zn	P 1 2/c 1	4.69482; 5.72249; 4.92885 90; 90.6325; 90	132.411	Patil, Amitkumar R.; Dongale, Tukaram D.; Kamat, Rajanish K.; Rajpure, Keshav Y. Spray deposited zinc tungstate thin film for non-volatile memory application Materials Letters, 2022, 322, 132494
1567229	CIF	C14 H8 F2 O2	P 21 21 2	6.1423; 23.2488; 4.0149 90; 90; 90	573.33	Divya, Indira S.; Saravanan, Kandasamy; Haseba, Shodai; Sasaki, Toshiyuki; Koshima, Hideko; Wozniak, Krzysztof; Varughese, Sunil Flexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending Chemical Science, 2022
1567230	CIF	C42 H74 Cl3 F0 N4 O8 S0 Sc	P 21 21 21	13.2602; 14.244; 25.4714 90; 90; 90	4811	Li, Yi; Xin, Shuang; Weng, Rui; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of Chromanone Lactones via Vinylogous Conjugate Addition of Butenolide to 2-Ester Chromones Chemical Science, 2022
1567231	CIF	C7 H14 Cl N3 O4	P 21 21 21	5.2258; 8.7007; 22.97 90; 90; 90	1044.4	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567232	CIF	C17 H23 N O10 S	P 21 21 21	8.0982; 15.8199; 16.351 90; 90; 90	2094.8	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567233	CIF	C39 H33 Cl6 N P2 Pt	P -1	10.7207; 13.8244; 14.532 114.84; 91.402; 96.559	1935.42	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567234	CIF	C17 H18 O4 S	P 1 21 1	5.7898; 8.4887; 15.9793 90; 92.849; 90	784.38	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567235	CIF	C52 H40 B2 F8 N4 P2 Pt	P 1 21/m 1	11.289; 16.021; 13.684 90; 107.97; 90	2354.2	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567236	CIF	C12 H18 O5 S2	P 21 21 21	9.1347; 9.4741; 18.1026 90; 90; 90	1566.65	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567237	CIF	C74.5 H69 Br2 Cl N8 O2 S2 Zn2	P -1	10.784; 11.371; 29.455 97.326; 97.564; 96.209	3522.5	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567238	CIF	C88 H144 Ag2 N24 O4 Pd4	C 1 2/m 1	22.785; 15.8669; 20.292 90; 108.536; 90	6955.5	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567239	CIF	C88 H148 Ag2 B2 F20 N24 O2 Pd4 Si2	P -1	13.5019; 14.026; 20.0093 72.754; 73.765; 80.009	3457.63	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567240	CIF	C33 H42 N4 O2	P b c a	14.8284; 17.9936; 21.3095 90; 90; 90	5685.7	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation Chemical Science, 2022
1567241	CIF	C56 H55 Al N4 O5.5 P	C 1 2/c 1	21.806; 21.822; 20.8 90; 101.314; 90	9705	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567242	CIF	C48 H32 Al Cl4 N4 O4 P	P n a 21	13.424; 16.38; 41.151 90; 90; 90	9048	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567243	CIF	C53 H48 Al N4 O6 P	P -1	11.8738; 13.224; 16.406 81.934; 81.586; 64.23	2286.4	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567244	CIF	C64 H68 Al N4 O4 P	P -1	13.374; 14.095; 16.593 96.179; 106.731; 103.041	2868	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567245	CIF	C58 H52 Al N4 O4 P	P -1	13.324; 13.763; 14.19 91.243; 104.039; 101.05	2471	Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands Inorganics, 2022, 10, 84
1567247	CIF	C12 H11 Br I N O	C 1 2/c 1	19.7902; 6.2266; 20.7782 90; 102.111; 90	2503.4	Li, Xinwei; Cheng, Zengrui; Liu, Jianzhong; Zhang, Ziyao; Song, Song; Jiao, Ning Selective Desaturation of Amides: A Direct Approach to Enamides Chemical Science, 2022
1567255	CIF	C44 H73 N2 O4 Y	P -1	9.938; 12.053; 19.598 94.27; 104.5; 90.69	2265.3	Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands Polymer Chemistry, 2022, 13, 4249-4259
1567256	CIF	C50 H86 N2 O4.25 Y	I 1 2 1	21.9272; 11.1967; 41.785 90; 92.244; 90	10250.9	Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands Polymer Chemistry, 2022, 13, 4249-4259
1567271	CIF	Bi O6 W	P c a 21	5.4718; 16.3253; 5.4616 90; 90; 90	487.88	Pedanekar, R S.; Madake, S B.; Narewadikar, N A.; Mohite, S V.; Patil, A R.; Kumbhar, S M.; Rajpure, K Y. Photoelectrocatalytic degradation of rhodamine B by spray deposited Bi2WO6 photoelectrode under solar radiation Materials Research Bulletin, 2022, 147, 111639
1567274	CIF	C19 H15 F2 N O	P 1	5.5106; 7.7117; 9.6692 70.09; 86.972; 85.438	384.97	Liu, Zhen; Wei, Yin; Shi, Min A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes Catalysis Science & Technology, 2022, 12, 5325-5331
1567275	CIF	C17 H17 F2 N O	P 1 21/n 1	11.9237; 10.5309; 12.4165 90; 114.482; 90	1418.93	Liu, Zhen; Wei, Yin; Shi, Min A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes Catalysis Science & Technology, 2022, 12, 5325-5331
1567276	CIF	C232 H122 F16 N20 O48 S5 Y12	C m m m	40.568; 41.959; 19.6114 90; 90; 90	33382	Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks Chemical Science, 2022, 13, 9321-9328
1567277	CIF	C47.48 H22.51 F4 N3 O12.97 S Y3	C m m m	21.358; 35.038; 20.494 90; 90; 90	15337	Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks Chemical Science, 2022, 13, 9321-9328
1567278	CIF	C35 H52 O10	P n a 21	10.4486; 8.0259; 41.6406 90; 90; 90	3491.96	Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones Chemical Science, 2022
1567279	CIF	C42 H62 O12	I b a 2	48.93; 8.2077; 10.3345 90; 90; 90	4150.4	Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones Chemical Science, 2022
1567280	CIF	C30 H32.5 F1.5 N4 O5	P 1 21/c 1	9.5344; 23.7071; 24.8206 90; 99.04; 90	5540.6	Hazari, Amaruka; Sawaya, Michael R.; Vlahakis, Niko; Johnstone, Timothy C.; Boyer, David; Rodriguez, Jose; Eisenberg, David; Raskatov, Jevgenij A. The rippled β-sheet layer configuration—a novel supramolecular architecture based on predictions by Pauling and Corey Chemical Science, 2022
1567281	CIF	C35 H25 N3 O S2	P 1 21/c 1	5.737; 19.159; 24.68 90; 96.66; 90	2694	Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides Chemical Science, 2022
1567282	CIF	C38 H31 N3 O S2	P c a 21	40.9226; 6.2134; 11.86 90; 90; 90	3015.62	Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides Chemical Science, 2022
1567283	CIF	C15 H16 N2 O2	P 1 21/m 1	8.4884; 6.7183; 11.755 90; 108.39; 90	636.1	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567284	CIF	C30 H40 Cu F6 N8 P	I 1 2/a 1	22.442; 10.441; 41.64 90; 91.84; 90	9752	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567285	CIF	C16 H23 N5	P n a 21	15.194; 11.576; 8.9945 90; 90; 90	1582	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567286	CIF	C32 H40 Cu F6 N8 O6 S2	P -1	10.318; 12.507; 16.034 98.43; 95.28; 113.19	1855.7	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567287	CIF	C31 H40 Cu F3 N8 O3 S	I 1 2/a 1	22.769; 10.613; 42.709 90; 90.75; 90	10320	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567288	CIF	C18 H26 N4	P -1	6.8997; 10.446; 12.234 103.63; 98.86; 93.79	841.9	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567289	CIF	C36 H46 B2 Cu F8 N10 O4	P 1 21/c 1	13.585; 25.27; 12.065 90; 91.75; 90	4139.9	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567290	CIF	C41 H58 Cl2 Cu F6 N8 P	P -1	13.117; 13.265; 15.609 73.5; 76.04; 61.06	2261.4	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567291	CIF	C32 H40 Cu F6 N8 O4 P	P 1 21/c 1	7.76; 13.9; 32.3 90; 92.6; 90	3480.4	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567292	CIF	C15 H20 N4	P -1	6.8391; 14.447; 15.756 64.51; 89.05; 86.95	1403.2	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567293	CIF	C32 H46 B Cu F4 N10	P 1 21/c 1	11.779; 19.544; 15.389 90; 94.9; 90	3529.7	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567294	CIF	C30 H40 B2 Cu F8 N8	P 1 21/c 1	17.171; 8.9412; 22.701 90; 108.94; 90	3296.6	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567295	CIF	C42 H56 Cu F6 N8 O6 S2	P b c n	12.407; 21.571; 16.723 90; 90; 90	4475.6	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567296	CIF	C38 H46 Cu F6 N10 O10 S2	P 1 21/c 1	13.547; 12.641; 26.447 90; 93.99; 90	4518	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567297	CIF	C34 H46 Cu F6 N10 O6 S2	P b c a	12.27; 19.141; 36.523 90; 90; 90	8578	Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288
1567298	CIF	C78 H176 O25 Rb2 Si6 U2	P 1 21/n 1	14.04416; 29.0153; 27.517 90; 91.0486; 90	11211.2	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567299	CIF	C72 H162 O25 Rb Si6 U2	P -1	13.7997; 16.508; 25.0252 71.888; 81.133; 71.005	5114.5	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567300	CIF	C72 H162 Na O25 Si6 U2	P 1 21 1	13.8302; 31.0949; 14.0653 90; 118.148; 90	5333.4	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567301	CIF	C79 H170 Cs2 O26 Si6 U2	P -1	14.3992; 14.5329; 30.7352 88.132; 79.13; 60.661	5492.7	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567302	CIF	C86 H178 O26 Rb2 Si6 U2	P -1	14.484; 17.573; 25.4883 79.6962; 89.4157; 67.026	5863.83	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567303	CIF	C72 H162 Cs4 N2 O25 Si6 U2	P -1	14.2492; 30.7972; 30.9557 115.848; 95.2709; 98.8528	11885.2	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567304	CIF	C72 H162 N2 O25 Rb2 Si6 U2	P 1	14.0149; 17.5229; 24.7263 83.4471; 83.4537; 70.099	5654	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567305	CIF	C72 H162 Cs2 O25 Si6 U2	I 41/a :2	25.3833; 25.3833; 65.6666 90; 90; 90	42309.8	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Cation assisted binding and cleavage of dinitrogen by uranium complexes Chemical Science, 2022, 13, 9232-9242
1567306	CIF	C38 H48 N2 O2	P -1	10.0611; 11.5414; 15.8166 77.316; 74.707; 65.801	1602.9	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567307	CIF	C46 H64 N2 O2	I 1 2/m 1	13.809; 8.7376; 17.19 90; 99.585; 90	2045.1	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567308	CIF	C18 H10 O2 S	P 1 21/c 1	7.0219; 20.7503; 17.221 90; 91.096; 90	2508.8	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567309	CIF	C38 H48 N2 O2	P -1	6.142; 9.094; 15.431 106.415; 93.806; 97.936	813.8	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567310	CIF	C30 H28 O2 S	P c a 21	19.7648; 7.4276; 16.1962 90; 90; 90	2377.7	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567311	CIF	C31 H24 O2 S	P b c n	15.4383; 20.371; 7.3501 90; 90; 90	2311.6	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567312	CIF	C54 H84 Cl Cr N2 O5	C 1 2/c 1	27.514; 12.1313; 32.252 90; 99.556; 90	10615.7	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606
1567313	CIF	C48.5 H34 F10 Ir N4 O2 P	P -1	12.373; 19.541; 21.137 63.579; 75.787; 71.958	4317	Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S. Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges Chemical Science, 2022, 13, 8804-8812
1567314	CIF	C55 H39 F10 Ir N4 O4 P	P -1	12.0293; 13.6426; 15.8219 79.16; 81.948; 71.953	2415.43	Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S. Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges Chemical Science, 2022, 13, 8804-8812
1567315	CIF	C50 H30 F10 Ir N4 O4 P	P -1	11.885; 13.195; 16.517 105.127; 97.59; 101.773	2400.4	Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S. Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges Chemical Science, 2022, 13, 8804-8812
1567316	CIF	C18 H25 N2 O4 Rh S2	P n m a	13.6126; 17.3901; 7.9408 90; 90; 90	1879.8	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567317	CIF	C17 H23 N2 O2 Rh S	P b c a	13.266; 15.322; 16.848 90; 90; 90	3424.6	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567318	CIF	C38 H44 B2 F8 N2 Rh2	P 1 21/n 1	12.9758; 16.8728; 18.2875 90; 99.504; 90	3948.9	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567319	CIF	C20 H28 N3 O4 Rh S2	P 1 21/c 1	13.6005; 11.1691; 15.316 90; 103.448; 90	2262.8	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567320	CIF	C20 H29 Cl0.5 Co0.5 N1.5 O2 Rh0.5 S	P 1 21/c 1	9.5006; 26.1082; 17.1121 90; 103.04; 90	4135.1	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567321	CIF	C22 H25 N2 Rh	P 1 21/c 1	10.4938; 11.4745; 15.7469 90; 90.1; 90	1896.1	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567322	CIF	C28 H29 N2 Rh	P 1 21/n 1	19.0964; 10.3051; 23.86 90; 104.469; 90	4546.5	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567323	CIF	C32 H35 B2 F8 N4 Rh	P 1 21/c 1	13.2373; 12.7617; 19.6601 90; 92.687; 90	3317.5	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567324	CIF	C42 H65 Co N2 O5 Rh S2	P 1 21 1	11.7284; 16.4573; 12.1115 90; 113.811; 90	2138.75	Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand Chemical Science, 2022
1567325	CIF	C86 H110 Cl3 Mn3 N6 O18	R -3 c :H	22.2032; 22.2032; 30.987 90; 90; 120	13229.4	Zhang, Hang; Wu, Jia-Hui; Xue, Hao-Zong; Zhang, Ruijing; Yang, Zi-Shu; Gao, Song; Zhang, Jun-Long Biomimetically constructing a hypoxia-activated programmable phototheranostics at the molecular level Chemical Science, 2022
1567326	CIF	C33 H23 B F5 O2 S3	P -1	7.3149; 8.4664; 25.63 93.482; 94.312; 100.726	1550.6	Li, Ziyong; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Shuren; Chen, Si; Zhou, Hui; Yang, Xiao-Gang Green-/NIR-light-controlled rapid photochromism featuring reversible thermally activated delayed fluorescence and photoelectronic switching Chemical Science, 2022, 13, 9381-9386
1567327	CIF	C35 H48 Au F6 N4 O6 Sb	P -1	11.63; 12.52; 15.71 76.35; 72.58; 65.54	1970	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567328	CIF	C14 H18 O3	P 21 21 21	6.3989; 7.1432; 27.0217 90; 90; 90	1235.12	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567329	CIF	C37.26 H44.26 F6 I0.11 N4 O0.89 Sb	P 1 21/n 1	12.29; 16.44; 19.22 90; 101.35; 90	3807	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567330	CIF	C31 H38 Au Cl N4	P 1 21/n 1	9.9684; 23.6287; 12.9108 90; 101.309; 90	2982	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567331	CIF	C37 H46 Cl N5 O2	P 1 21/c 1	11.589; 11.486; 26.6 90; 97.78; 90	3508	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567332	CIF	C32 H42 Au Cl N5 O0.46	P -1	9.426; 12.481; 15.289 108.17; 91.2; 110.83	1580	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567333	CIF	C35 H50 Au Cl2 F6 N4 O2 Sb	P -1	12.502; 15.3475; 22.3529 83.846; 81.645; 79.159	4153.6	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567334	CIF	C46 H55 Au Cl N5 O	P -1	12.25; 15.5; 23.22 89.58; 84.7; 85.16	4374	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567335	CIF	C72 H82 Au2 F12 N10 Sb2	P b c n	25.668; 11.721; 25.249 90; 90; 90	7596	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567336	CIF	C42 H45 Au F6 N5 Sb	P 1 21/n 1	17.0009; 11.783; 19.9923 90; 98.26; 90	3963.3	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567337	CIF	C67 H88 Au2 Cl2 F12 N8 O Sb2	P 1 21/c 1	16.5318; 17.9336; 25.9388 90; 107.017; 90	7353.5	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567338	CIF	C167 H215 Au4 B4 Cl4 F16 N21 O9	P -1	16.4149; 23.5323; 24.8306 64.105; 80.992; 81.246	8484.1	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids Chemical Science, 2022, 13, 9351-9360
1567339	CIF	C21 H34 N2 O	P 21 21 21	6.189; 12.3978; 26.4025 90; 90; 90	2025.9	Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis Chemical Science, 2022
1567340	CIF	C18 H28 Au Cl N2 O	C 1 2 1	28.311; 9.3672; 15.1782 90; 102.115; 90	3935.5	Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis Chemical Science, 2022
1567341	CIF	C21 H34 Au Cl N2 O	P 21 21 21	9.7764; 14.6129; 16.587 90; 90; 90	2369.6	Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis Chemical Science, 2022
1567342	CIF	C104 H120 Cl6 N8 O2 S4	P -1	15.4157; 17.5066; 19.617 95.374; 102.99; 104.699	4925.7	Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells Energy & Environmental Science, 2022, 15, 3519-3533
1567343	CIF	C104 H120 F6 N8 O2 S4	P 1 21/c 1	17.222; 59.388; 19.162 90; 98.29; 90	19394	Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells Energy & Environmental Science, 2022, 15, 3519-3533
1567344	CIF	C104 H120 Cl4 F2 N8 O2 S4	R 3 c :H	41.303; 41.303; 32.517 90; 90; 120	48040	Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells Energy & Environmental Science, 2022, 15, 3519-3533
1567346	CIF	H2 O	P 42/n m c :2	6.1732; 6.1732; 5.6881 90; 90; 90	216.76	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567347	CIF	H2 O	P 42/n m c :2	6.1732; 6.1732; 5.6881 90; 90; 90	216.76	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567348	CIF	H2 O	P 42/n m c :2	6.1732; 6.1732; 5.6881 90; 90; 90	216.76	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567349	CIF	H2 O	P 42/n m c :2	6.1711; 6.1711; 5.6747 90; 90; 90	216.11	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567350	CIF	H2 O	P 42/n m c :2	6.1711; 6.1711; 5.6747 90; 90; 90	216.11	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567351	CIF	H2 O	P 42/n m c :2	6.1918; 6.1918; 5.7067 90; 90; 90	218.79	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567352	CIF	H2 O	P 42/n m c :2	6.1918; 6.1918; 5.7067 90; 90; 90	218.79	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567353	CIF	H2 O	P 42/n m c :2	6.1737; 6.1737; 5.6843 90; 90; 90	216.65	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567354	CIF	H2 O	P 42/n m c :2	6.1737; 6.1737; 5.6843 90; 90; 90	216.65	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567355	CIF	H2 O	P 42/n m c :2	6.1665; 6.1665; 5.6756 90; 90; 90	215.82	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567356	CIF	H2 O	P 42/n m c :2	6.1665; 6.1665; 5.6756 90; 90; 90	215.82	Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9
1567357	CIF Paper	C6 Mo O6	P n m a	11.74147; 11.22116; 6.35094 90; 90; 90	836.755	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567358	CIF Paper	C6 Mo O6	P n m a	11.74147; 11.22116; 6.35094 90; 90; 90	836.755	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567359	CIF Paper	C6 Mo O6	P n m a	11.74147; 11.22116; 6.35094 90; 90; 90	836.755	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567360	CIF Paper	C6 Mo O6	P n m a	11.78656; 11.2619; 6.3733 90; 90; 90	845.986	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567361	CIF Paper	C6 Mo O6	P n m a	11.78656; 11.2619; 6.3733 90; 90; 90	845.986	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567362	CIF Paper	C6 Mo O6	P n m a	11.78656; 11.2619; 6.3733 90; 90; 90	845.986	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567363	CIF Paper	C6 Mo O6	P n m a	11.7976; 11.2734; 6.3799 90; 90; 90	848.52	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567364	CIF Paper	C6 Mo O6	P n m a	11.7976; 11.2734; 6.3799 90; 90; 90	848.52	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567365	CIF Paper	C6 Mo O6	P n m a	11.7976; 11.2734; 6.3799 90; 90; 90	848.52	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567366	CIF Paper	C6 Mo O6	P n m a	11.80112; 11.27663; 6.38185 90; 90; 90	849.277	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567367	CIF Paper	C6 Mo O6	P n m a	11.80112; 11.27663; 6.38185 90; 90; 90	849.277	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567368	CIF Paper	C6 Mo O6	P n m a	11.80112; 11.27663; 6.38185 90; 90; 90	849.277	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567369	CIF Paper	C6 Mo O6	P n m a	11.80973; 11.28599; 6.38709 90; 90; 90	851.3	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567370	CIF Paper	C6 Mo O6	P n m a	11.80973; 11.28599; 6.38709 90; 90; 90	851.3	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567371	CIF Paper	C6 Mo O6	P n m a	11.80973; 11.28599; 6.38709 90; 90; 90	851.3	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567372	CIF Paper	C6 Mo O6	P n m a	11.82125; 11.2974; 6.39402 90; 90; 90	853.917	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567373	CIF Paper	C6 Mo O6	P n m a	11.82125; 11.2974; 6.39402 90; 90; 90	853.917	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567374	CIF Paper	C6 Mo O6	P n m a	11.82125; 11.2974; 6.39402 90; 90; 90	853.917	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567375	CIF Paper	C6 Mo O6	P n m a	11.8622; 11.33684; 6.41647 90; 90; 90	862.886	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567376	CIF Paper	C6 Mo O6	P n m a	11.8622; 11.33684; 6.41647 90; 90; 90	862.886	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567377	CIF Paper	C6 Mo O6	P n m a	11.8622; 11.33684; 6.41647 90; 90; 90	862.886	Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9
1567378	CIF HKL Paper	Cu61.39 S32	P 1 21/n 1	26.85; 15.6862; 13.5175 90; 90.062; 90	5693.2	Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites IUCrData, 2022, 7, x220694
1567379	CIF HKL Paper	C21 H19 N5 O3	P b c a	8.8585; 18.0405; 23.1961 90; 90; 90	3707	Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate IUCrData, 2022, 7
1567380	CIF HKL Paper	C33 H58 B Cl2 F4 Ir N3 P	C 1 2/c 1	35.832; 10.2608; 22.034 90; 118.095; 90	7146.6	Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward [(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate IUCrData, 2022, 7, x220685
1567381	CIF HKL	Se0.27 Sn Te0.73	F m -3 m	6.1595; 6.1595; 6.1595 90; 90; 90	233.69	Moris, Silvana; Galdámez, Antonio Rerefinement of the crystal structure of SnTe~0.73(2)~Se~0.27(2)~ from single-crystal X-ray diffraction data IUCrData, 2022, 7, x220729
1567382	CIF	C11 H8 Au Br F4 N2	P 1 21/c 1	14.0862; 15.4831; 12.9171 90; 106.586; 90	2700	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567383	CIF	C11 H8 Au Br F4 N2	P n m a	12.9752; 6.8244; 15.5938 90; 90; 90	1380.8	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567384	CIF	C11 H8 Au Br F4 N2	P n m a	12.9715; 6.8326; 15.6063 90; 90; 90	1383.17	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567385	CIF	C11 H8 Au Br F4 N2	P 1 21/c 1	14.0976; 15.4992; 12.9484 90; 106.584; 90	2711.56	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567386	CIF	C11 H8 Au Br F4 N2	P 1 21/c 1	7.685; 15.3186; 12.9425 90; 120.622; 90	1311.16	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567387	CIF	C11 H8 Au Br F4 N2	P 1 21/c 1	7.6985; 15.3528; 12.9738 90; 120.533; 90	1320.79	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes Chemical Science, 2022, 13, 9544-9551
1567388	CIF	C12 H22 N O3	P 1 21/m 1	5.8166; 11.4718; 9.5696 90; 103.897; 90	619.86	Wang, Zhaoyu; Zou, Xinhui; Xie, Yi; Zhang, Haoke; Hu, Lianrui; Chan, Christopher C. S.; Zhang, Ruoyao; Guo, Jing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Williams, Ian D.; Zeng, Zebing; Wong, Kam Sing; Sherrill, C. David; Ye, Ruquan; Tang, Ben Zhong A nonconjugated radical polymer with stable red luminescence in the solid state. Materials horizons, 2022, 9, 2564-2571
1567391	CIF	Cs2 F5 I O4 W	C m c 21	12.1122; 10.6192; 7.8333 90; 90; 90	1007.53	Hu, Yilei; Jiang, Xingxing; Wu, Tianhui; Xue, Yanyan; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Xu, Jun; Humphrey, Mark G.; Zhang, Chi Wide Bandgaps and Strong SHG Responses of Hetero-Oxyfluorides by Dual-Fluorination-Directed Bandgap Engineering Chemical Science, 2022
1567392	CIF	F5 I O4 Rb2 W	C m c 21	11.726; 10.188; 7.6661 90; 90; 90	915.8	Hu, Yilei; Jiang, Xingxing; Wu, Tianhui; Xue, Yanyan; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Xu, Jun; Humphrey, Mark G.; Zhang, Chi Wide Bandgaps and Strong SHG Responses of Hetero-Oxyfluorides by Dual-Fluorination-Directed Bandgap Engineering Chemical Science, 2022
1567393	CIF	C20 H24 Fe O6	P 1 2/c 1	34.6729; 5.8345; 19.159 90; 106.03; 90	3725.1	Oberle, Kjersti G.; Whitman, Elizabeth L.; Jolly, Charles S.; Webster, Katherine A.; Marx, Benjamin S.; Howard, Christopher M.; Hanger, Clara A.; Ramey, Erin E.; Zou, Yutong; Lowe, Jared C.; Turlington, Mark; Turlington, Christopher R. Metallopolymers in minutes via organocatalysis at room temperature Polymer Chemistry, 2022, 13, 4747-4751
1567394	CIF	C21 H16 O2 S	P 1 21/n 1	8.7021; 10.4858; 18.6175 90; 94.841; 90	1692.76	Li, Rui-Tao; Yuan, Da-Fu; Ping, Meng-Qi; Zhu, Yu-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization Chemical Science, 2022
1567395	CIF	C25 H23 Cl O2 S	P -1	9.2866; 10.4269; 11.1292 87.053; 81.996; 86.1	1063.72	Li, Rui-Tao; Yuan, Da-Fu; Ping, Meng-Qi; Zhu, Yu-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization Chemical Science, 2022
1567396	CIF	C16 H14 O2 S	P -1	8.2022; 10.5431; 18.8492 75.696; 88.8; 67.516	1454.5	Li, Rui-Tao; Yuan, Da-Fu; Ping, Meng-Qi; Zhu, Yu-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization Chemical Science, 2022
1567397	CIF	C18 H27 O7 P	P 21 21 21	6.3864; 7.8416; 39.8125 90; 90; 90	1993.79	Ren, Xinkun; Chandgude, Ajay L.; Carminati, Daniela M.; Shen, Zhuofan; Khare, Sagar D.; Fasan, Rudi Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases Chemical Science, 2022, 13, 8550-8556
1567398	CIF	C43 H67 Br2 Mn N7 O Si2	P b c a	16.5285; 17.378; 34.2234 90; 90; 90	9830.06	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical Chemical Science, 2022, 13, 8634-8641
1567399	CIF	C48 H65 Mn N7 O3 Si2	P 1 21 1	10.1252; 18.0882; 13.3966 90; 103.606; 90	2384.69	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical Chemical Science, 2022, 13, 8634-8641
1567400	CIF	C45 H75 Mn N7 P2 Si2	P 1 21 1	9.522; 18.7589; 13.6576 90; 97.022; 90	2421.25	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical Chemical Science, 2022, 13, 8634-8641
1567401	CIF	C48 H82 Mn N7 P2 Si2	P 1 21/c 1	13.5113; 13.8328; 28.2254 90; 92.402; 90	5270.67	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical Chemical Science, 2022, 13, 8634-8641
1567402	CIF	C37 H30 Cl2 F18 Mo N2 O4	P -1	11.8411; 12.4718; 15.3713 80.252; 81.208; 66.112	2036.64	Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R. Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts Chemical Science, 2022, 13, 8649-8656
1567403	CIF	C53 H44 Al Cl F41 Mo N2 O7	P -1	12.9654; 13.8876; 19.3009 79.898; 78.994; 86.057	3356.2	Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R. Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts Chemical Science, 2022, 13, 8649-8656
1567405	CIF HKL Paper	C9 H10 N4 O	P 1 21/c 1	14.4362; 21.3403; 9.2949 90; 98.356; 90	2833.11	Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef 2-Azido-<i>N</i>-(4-methylphenyl)acetamide IUCrData, 2022, 7, x220621
1567406	CIF	C9 H13 Br4 N3 Pb	C 1 2/c 1	11.9594; 30.9963; 8.6387 90; 94.186; 90	3193.8	Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I. Reliably obtaining white light from layered halide perovskites at room temperature Chemical Science, 2022
1567407	CIF	C9 H13 Br4 N3 Pb	C 1 2/c 1	12.0291; 31.112; 8.7353 90; 94.059; 90	3260.98	Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I. Reliably obtaining white light from layered halide perovskites at room temperature Chemical Science, 2022
1567408	CIF	C5 H11 Cl4 N3 Pb	P 1 21/c 1	9.6565; 11.2444; 11.4494 90; 106.444; 90	1192.34	Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I. Reliably obtaining white light from layered halide perovskites at room temperature Chemical Science, 2022
1567409	CIF	C5 H11 Cl4 N3 Pb	P 1 21/c 1	9.7314; 11.3143; 11.5207 90; 106.608; 90	1215.56	Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I. Reliably obtaining white light from layered halide perovskites at room temperature Chemical Science, 2022
1567410	CIF	C9 H13 Cl4 N3 Pb	C 1 2/c 1	11.4666; 30.4225; 8.3667 90; 93.59; 90	2912.9	Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I. Reliably obtaining white light from layered halide perovskites at room temperature Chemical Science, 2022
1567411	CIF	C9 H13 Cl4 N3 Pb	C 1 2/c 1	11.5223; 30.5566; 8.4574 90; 93.472; 90	2972.24	Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I. Reliably obtaining white light from layered halide perovskites at room temperature Chemical Science, 2022
1567412	CIF	C4 H9 Cl4 N3 Pb	P b c a	15.7175; 8.1812; 17.2809 90; 90; 90	2222.12	Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I. Reliably obtaining white light from layered halide perovskites at room temperature Chemical Science, 2022
1567413	CIF	C4 H9 Cl4 N3 Pb	P b c a	15.7952; 8.1952; 17.4241 90; 90; 90	2255.5	Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I. Reliably obtaining white light from layered halide perovskites at room temperature Chemical Science, 2022
1567414	CIF	C26 H18 N2 O3	P 1 21 1	6.3457; 12.49324; 29.7405 90; 93.4861; 90	2353.41	Li, Ao; Gao, Yang; Lu, Jian-Bin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun Asymmetric higher-order [10 + n] cycloadditions of palladium-containing 10π-cycloaddends Chemical Science, 2022, 13, 9265-9270
1567415	CIF	C48 H70 Al Fe N2	P 1 21/n 1	16.196; 12.016; 23.162 90; 93.907; 90	4497	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567416	CIF	C45 H61 Al Fe I2 N2	P 1 21/c 1	16.6116; 14.202; 20.0432 90; 103.503; 90	4597.8	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567417	CIF	C104 H146 Al2 Fe2 I2 N4	P 1 21/n 1	16.797; 16.275; 19.697 90; 112.357; 90	4980	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567418	CIF	C96 H136 Al2 Fe2 I2 N4	P -1	15.8692; 16.9522; 18.67859 112.089; 93.6385; 100.472	4530.35	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567419	CIF	C97 H130 Al2 Fe2 I2 N4	P 1 21/n 1	22.1651; 19.7884; 23.3393 90; 113.136; 90	9413.59	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567420	CIF	C96 H136 Al2 Fe2 N4	P 1 21/n 1	15.996; 29.021; 19.433 90; 91.562; 90	9018	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567421	CIF	C90 H122 Al2 Fe2 N4	P 1 21/c 1	19.856; 14.8; 29.131 90; 105.079; 90	8266	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species Chemical Science, 2022, 13, 9693-9700
1567422	CIF	C32 H24 N2 O2 S2	P b c a	14.187; 13.429; 27.488 90; 90; 90	5237	Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers Chemical Science, 2022, 13, 9552-9559
1567423	CIF	C32 H24 N2 O2 S2	P -1	4.88; 10.531; 12.724 105.72; 91.51; 99.05	620	Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers Chemical Science, 2022, 13, 9552-9559
1567424	CIF	C66 H81 Br Cl12 N4 O2 P2 Ru	P 1	11.3315; 12.2669; 14.2038 77.65; 88.094; 75.63	1867.9	Böth, Alexander D.; Sauer, Michael J.; Baratta, Walter; Kühn, Fritz E. Abnormal NHC ruthenium catalysts: mechanistic investigations of their preparation and steric influence on catalytic performance Catalysis Science & Technology, 2022, 12, 5597-5603
1567425	CIF	C21 H24 O4 S	P 1 21 1	11.826; 7.8223; 12.199 90; 118.99; 90	987.1	He, Fu-Sheng; Zhang, Chun; Jiang, Minghui; Lou, Lujun; Wu, Jie; Ye, Shengqing Access to chiral β-sulfonyl carbonyl compounds via photoinduced organocatalytic asymmetric radical sulfonylation with sulfur dioxide Chemical Science, 2022, 13, 8834-8839
1567426	CIF	C24 H46 Au B9 Br4 N4 O2 P2	P 1 21/c 1	21.4705; 18.6774; 19.3095 90; 90.509; 90	7743.1	Szalóki, György; Babinot, Julien; Martin-Diaconescu, Vlad; Mallet-Ladeira, Sonia; García-Rodeja, Yago; Karinne, Miqueu; Bourissou, Didier Ligand-enabled oxidation of gold(I) complexes with o-quinones Chemical Science, 2022
1567427	CIF	C34.5 H41 Au Br4 Cl F6 N O2 P Sb	C 1 2/c 1	34.5469; 10.0066; 22.7409 90; 95.0516; 90	7830.9	Szalóki, György; Babinot, Julien; Martin-Diaconescu, Vlad; Mallet-Ladeira, Sonia; García-Rodeja, Yago; Karinne, Miqueu; Bourissou, Didier Ligand-enabled oxidation of gold(I) complexes with o-quinones Chemical Science, 2022
1567428	CIF	C34.5 H41 Au Cl5 F6 N O2 P Sb	C 1 2/c 1	34.1585; 9.9683; 22.6313 90; 95.446; 90	7671.2	Szalóki, György; Babinot, Julien; Martin-Diaconescu, Vlad; Mallet-Ladeira, Sonia; García-Rodeja, Yago; Karinne, Miqueu; Bourissou, Didier Ligand-enabled oxidation of gold(I) complexes with o-quinones Chemical Science, 2022
1567429	CIF	C20 H12 Cl4 N8 Na2 O14 Pd	P b c a	9.2426; 18.4473; 35.708 90; 90; 90	6088.3	Panja, Subir; Ahsan, Salman; Pal, Tanay; Kolb, Simon; Ali, Wajid; Sharma, Sulekha; Das, Chandan; Grover, Jagrit; Dutta, Arnab; Werz, Daniel B.; Paul, Amit; Maiti, Debabrata Non-directed Pd-catalysed electrooxidative olefination of arenes Chemical Science, 2022, 13, 9432-9439
1567430	CIF	C8 H13 N O Si	P b c a	11.6876; 24.898; 13.833 90; 90; 90	4025.4	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567431	CIF	C8 H13 N S Si	P 1 21/m 1	6.6079; 7.2078; 11.1025 90; 97.954; 90	523.71	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567432	CIF	C12 H14 N2 O2 Si	P 1 21/c 1	12.7881; 10.7211; 18.6634 90; 90.247; 90	2558.8	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567433	CIF	C12 H14 N2 S2 Si	P -1	9.7145; 11.5896; 12.9509 73.601; 89.903; 85.998	1395.13	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567434	CIF	C22 H18 N2 O2 Si	P 1	6.1626; 8.8822; 26.4639 88.692; 88.561; 81.453	1431.76	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567435	CIF	C22 H18 N2 S2 Si	P -1	9.4763; 10.2415; 11.1044 96.698; 114.442; 90.107	972.92	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567436	CIF	C22 H18 N2 S2 Si	P 1 21/n 1	12.3581; 12.704; 12.5693 90; 90.262; 90	1973.33	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567437	CIF	C22 H18 N2 S2 Si	C 1 2/c 1	10.9877; 19.5766; 9.7361 90; 97.501; 90	2076.33	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567438	CIF	C29 H26 N2 S2 Si	P -1	9.7034; 11.2023; 13.2853 73.607; 72.232; 82.511	1317.8	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054
1567439	CIF	C25 H40 N2 O4	P -1	9.3339; 9.6044; 14.535 81.54; 78.191; 89.814	1261.1	Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array Chemical Science, 2022, 13, 9614-9623
1567440	CIF	C23 H40 N2 O5	C 1 2 1	37.83; 4.929; 12.845 90; 97.014; 90	2377	Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array Chemical Science, 2022, 13, 9614-9623
1567442	CIF	C41 H63 Fe N3	P -1	9.6054; 19.7203; 20.7848 104.662; 92.247; 90.183	3805.6	Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization Chemical Science, 2022, 13, 9637-9643
1567443	CIF	C32 H52 Li2 N2	P -1	8.9896; 9.3153; 10.4649 74.635; 87.557; 62.337	745.1	Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization Chemical Science, 2022, 13, 9637-9643
1567444	CIF	C32 H52 Fe N2	C 1 2/c 1	9.3375; 15.828; 21.069 90; 96.519; 90	3093.7	Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization Chemical Science, 2022, 13, 9637-9643
1567445	CIF	C42 H67 Fe N3	P 1 21/n 1	9.9409; 36.563; 10.6275 90; 95.047; 90	3847.8	Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization Chemical Science, 2022, 13, 9637-9643
1567446	CIF	C29 H33 N2 O2	P 1 21/c 1	20.6047; 11.4378; 10.1417 90; 92.408; 90	2388.01	Yang, Zhi-Wen; Chen, Jin-Mei; Qiu, Li-Qi; Xie, Wen-Jun; He, Liang-Nian Solar energy-driven electrolysis with molecular catalysts for the reduction of carbon dioxide coupled with the oxidation of 5-hydroxymethylfurfural Catalysis Science & Technology, 2022, 12, 5495-5500
1567447	CIF	C40 H26 B N3 O2	P 21 21 21	9.9788; 15.3329; 19.7187 90; 90; 90	3017.04	van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L. Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes Chemical Science, 2022, 13, 9713-9718
1567448	CIF	C40 H28 B Cl2 N3 O2	P 1 21 1	13.375; 6.5182; 18.2995 90; 98.281; 90	1578.73	van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L. Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes Chemical Science, 2022, 13, 9713-9718
1567449	CIF	C58 H4 Al2 F80 O22 Ru3	P -1	11.298; 14.164; 15.698 71.621; 71.685; 73.388	2214	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567450	CIF	C2.76 H0.19 Al0.1 F3.81 O1.05 Os0.14	P -1	11.283; 14.143; 15.714 71.674; 71.73; 73.486	2211.9	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567451	CIF	C29 Al F36 N O17 Ru4	P 1 21/c 1	15.639; 15.156; 41.36 90; 95.87; 90	9752	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567452	CIF	C38 Al2 Cl2 F63 O6	P 1 21/n 1	14.514; 10.566; 18.161 90; 98.81; 90	2752	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567453	CIF	C68 H2 Al4 F114 O26 Os3	P -1	11.81; 12.939; 19.507 102.689; 103.941; 92.667	2806.8	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567454	CIF	C22 Al F36 I3 O10 Ru2	P n m a	18.581; 13.756; 16.816 90; 90; 90	4298.2	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567455	CIF	C57 H3 Ag Al2 F61 O30 Os6	P 1 21/c 1	20.504; 17.81; 25.217 90; 107.09; 90	8802	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567456	CIF	C21 Al F36 I O9 Ru	P 4/n :2	13.768; 13.768; 9.5388 90; 90; 90	1808.2	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567457	CIF	C68 H2 Al4 F114 O26 Ru3	P -1	11.819; 12.94; 19.477 102.636; 103.912; 92.736	2805.5	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567458	CIF	C46 H2 Ag Al F40 O28 Ru6	P -1	12.349; 12.385; 23.041 90.85; 94.031; 93.152	3509	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567459	CIF	C3.35 H4.54 I0.11 N0.22 O0.16	P 1 21/m 1	5.4537; 38.527; 15.1042 90; 93.702; 90	3167	Garain, Swadhin; Ansari, Shagufi Shagufi Naz; Kongasseri, Anju; GARAIN, BIDHAN CHANDRA; Pati, Swapan K.; George, Subi J. Room Temperature Charge-Transfer Phosphorescence from Organic Donor-Acceptor Co-Crystals Chemical Science, 2022
1567460	CIF	C4 H5 Br0.12 I0.12 N0.25 O0.5	P 1	5.69; 8.341; 17.5111 79.981; 82.483; 89.991	811.16	Garain, Swadhin; Ansari, Shagufi Shagufi Naz; Kongasseri, Anju; GARAIN, BIDHAN CHANDRA; Pati, Swapan K.; George, Subi J. Room Temperature Charge-Transfer Phosphorescence from Organic Donor-Acceptor Co-Crystals Chemical Science, 2022
1567461	CIF	C19 H21 N O2	P 1 21/c 1	9.0815; 11.6927; 14.7988 90; 102.05; 90	1536.82	Plöger, Stefanie; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Studer, Armido Azodioxy compounds as precursors for C-radicals and their application in thermal styrene difunctionalization Chemical Science, 2022, 13, 9749-9754
1567462	CIF	C20 H42 Fe N4 O2 P4	P 1 21/n 1	10.4604; 17.5579; 14.6107 90; 91.861; 90	2682	Britton, Luke; Docherty, Jamie; Sklyaruk, Jan; Cooney, Jessica; Nichol, Gary Stephen; Dominey, Andrew; Thomas, Stephen P. Iron-catalysed Alkene and Heteroarene H/D Exchange by Reversible Protonation of Iron-hydride Intermediates Chemical Science, 2022
1567463	CIF	C17 H38 Fe O P4	P -1	8.9533; 10.1488; 13.3681 90.181; 106.444; 106.68	1111.27	Britton, Luke; Docherty, Jamie; Sklyaruk, Jan; Cooney, Jessica; Nichol, Gary Stephen; Dominey, Andrew; Thomas, Stephen P. Iron-catalysed Alkene and Heteroarene H/D Exchange by Reversible Protonation of Iron-hydride Intermediates Chemical Science, 2022
1567464	CIF	C16 H38 Fe O P4	P 1 21/n 1	14.6983; 17.3967; 17.9529 90; 108.957; 90	4341.61	Britton, Luke; Docherty, Jamie; Sklyaruk, Jan; Cooney, Jessica; Nichol, Gary Stephen; Dominey, Andrew; Thomas, Stephen P. Iron-catalysed Alkene and Heteroarene H/D Exchange by Reversible Protonation of Iron-hydride Intermediates Chemical Science, 2022
1567465	CIF	C44 H46 N2 O2	P 1 21/c 1	17.3779; 5.2454; 19.4069 90; 108.694; 90	1675.69	Fei, Xian; Zhang, San; Zhai, Dong; Wang, Zhiwei; Lin, Jin-Liang; Xiao, Qi; Sun, Chun-Lin; Deng, Weiqiao; Zhang, Chunfeng; Hu, Wenping; Zhang, Hao-Li Flavanthrene derivatives as photostable and efficient singlet exciton fission materials Chemical Science, 2022
1567466	CIF	C95 H78 N6 O6	R -3 :H	22.2142; 22.2142; 12.977 90; 90; 120	5545.8	Sato, Hiroki; Suizu, Rie; Kato, Tomoki; Yagi, Akiko; Segawa, Yasutomo; Awaga, Kunio; Itami, Kenichiro N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation Chemical Science, 2022
1567467	CIF	C79 H55.5 B Cl2 F20 N3 O3	I 1 2/a 1	32.5289; 13.8777; 32.5269 90; 96.618; 90	14585.7	Sato, Hiroki; Suizu, Rie; Kato, Tomoki; Yagi, Akiko; Segawa, Yasutomo; Awaga, Kunio; Itami, Kenichiro N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation Chemical Science, 2022
1567468	CIF	C133.5 H147 Cl2 N7 Pt2	P -1	10.4183; 17.4812; 34.5651 85.025; 89.306; 73.296	6006.25	Moss, Austen; Jang, Youngwoo B.; Arvidson, Jacob; Nesterov, Vladimir; D'Souza, Francis; Wang, Hong Aromatic Heterobicycle-Fused Porphyrins: Impact on Aromaticity and Excited State Electron Transfer Leading to Long-Lived Charge Separation Chemical Science, 2022
1567469	CIF	C104 H141 I N6 O4 Zn	P -1	9.3273; 15.4601; 34.2082 90.976; 92.533; 95.704	4902.5	Moss, Austen; Jang, Youngwoo B.; Arvidson, Jacob; Nesterov, Vladimir; D'Souza, Francis; Wang, Hong Aromatic Heterobicycle-Fused Porphyrins: Impact on Aromaticity and Excited State Electron Transfer Leading to Long-Lived Charge Separation Chemical Science, 2022
1567470	CIF	C112.5 H123 Cl2 N7 Ni Pt	P -1	15.4224; 18.4372; 18.7956 68.623; 81.391; 81.851	4898.58	Moss, Austen; Jang, Youngwoo B.; Arvidson, Jacob; Nesterov, Vladimir; D'Souza, Francis; Wang, Hong Aromatic Heterobicycle-Fused Porphyrins: Impact on Aromaticity and Excited State Electron Transfer Leading to Long-Lived Charge Separation Chemical Science, 2022
1567471	CIF	C19.18 H36.23 F2 Ge5.99 N4.26 O80 Si34.01	C 1 2/m 1	21.573; 22.578; 12.562 90; 124.63; 90	5035	Kemp, Kingsley Christian; Choi, Wanuk; Jo, Donghui; Park, Sung Hwan; Hong, Suk Bong Synthesis and structure of the medium-pore zeolite PST-35 with two interconnected cages of unusual orthorhombic shape Chemical Science, 2022
1567472	CIF	C12 H8 S	P 1 21/n 1	8.7008; 6.01; 17.1614 90; 93.687; 90	895.54	Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions Chemical Science, 2022
1567473	CIF	C12 H7 Br S	P 21 21 21	3.9779; 12.1736; 20.4259 90; 90; 90	989.13	Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions Chemical Science, 2022
1567474	CIF	C12 H8 S	P 1 21/n 1	8.7011; 6.0075; 17.151 90; 93.695; 90	894.65	Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions Chemical Science, 2022
1567475	CIF	C12 H7 Br S	P 21 21 21	3.9868; 12.1976; 20.447 90; 90; 90	994.33	Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions Chemical Science, 2022
1567476	CIF	C62 H49 F12.1 N6 Ni2 O6	P 21 21 21	15.4863; 16.5824; 22.2267 90; 90; 90	5707.82	Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction Chemical Science, 2022, 13, 9507-9514
1567477	CIF	C8 H8 F6 O2	I 1 a 1	6.2917; 16.636; 9.166 90; 102.361; 90	937.15	Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction Chemical Science, 2022, 13, 9507-9514