Crystallography Open Database

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1564497 CIFC10 H24 Cl2 Co N4 S2P 1 21/n 19.9071; 12.7019; 14.1556
90; 92.824; 90
1779.16Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob
Quantifying magnetic anisotropy using X-ray and neutron diffraction
IUCrJ, 2021, 8
1564498 CIFC10 H24 Br2 Co N4 S2P 1 21/n 19.798; 12.961; 14.636
90; 92.363; 90
1857.1Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob
Quantifying magnetic anisotropy using X-ray and neutron diffraction
IUCrJ, 2021, 8
1564942 CIF
Paper
C20 H14 O2P n m a7.21024; 16.4876; 11.2792
90; 90; 90
1340.87Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564943 CIFC20 H14 O2P n m a7.2462; 16.536; 11.255
90; 90; 90
1348.6Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564944 CIFC20 H14 O2P n m a7.15; 16.17; 11.288
90; 90; 90
1305Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564945 CIFC20 H14 O2P n m a7.0642; 16.22; 11.165
90; 90; 90
1279.3Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564946 CIFC20 H14 O2P n 21 a7.03; 16.147; 11.1214
90; 90; 90
1262.4Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564947 CIFC20 H14 O2P n 21 a7.0202; 16.0775; 11.161
90; 90; 90
1259.7Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564948 CIFC20 H14 O2P n 21 a6.9714; 16.139; 11.072
90; 90; 90
1245.7Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564949 CIFC20 H14 O2P 1 1 21/a6.8697; 15.96; 11.1099
90; 90; 95.074
1213.3Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1565826 CIFK2 Mg2 O12 S3P 21 39.91895; 9.91895; 9.91895
90; 90; 90
975.882Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof
Tracing electron density changes in langbeinite under pressure
IUCrJ, 2022, 9, 146-162
1565827 CIFK2 Mg2 O12 S3P 21 39.91895; 9.91895; 9.91895
90; 90; 90
975.882Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof
Tracing electron density changes in langbeinite under pressure
IUCrJ, 2022, 9, 146-162
1565828 CIFK2 Mg2 O12 S3P 21 39.91977; 9.91977; 9.91977
90; 90; 90
976.124Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof
Tracing electron density changes in langbeinite under pressure
IUCrJ, 2022, 9, 146-162
1565829 CIFK2 Mg2 O12 S3P 21 39.91977; 9.91977; 9.91977
90; 90; 90
976.124Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof
Tracing electron density changes in langbeinite under pressure
IUCrJ, 2022, 9, 146-162
1565830 CIFK2 Mg2 O12 S3P 21 39.9045; 9.9045; 9.9045
90; 90; 90
971.623Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof
Tracing electron density changes in langbeinite under pressure
IUCrJ, 2022, 9, 146-162
1565831 CIFK2 Mg2 O12 S3P 21 39.9045; 9.9045; 9.9045
90; 90; 90
971.623Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof
Tracing electron density changes in langbeinite under pressure
IUCrJ, 2022, 9, 146-162
1565846 CIF
Paper
C54 H58 Cl3 O11 RbP -113.44; 14.3933; 14.8036
84.073; 76.728; 62.777
2478.47Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok
Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)
IUCrJ, 2022, 9, 43-48
1565847 CIFC55 H53 Cl9 Cs O10P 1 21/n 113.1773; 20.344; 22.581
90; 106.172; 90
5814Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok
Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)
IUCrJ, 2022, 9, 43-48
1565848 CIFC53 H55 Cl3 Cs2 O11P 1 21/c 113.166; 31.338; 14.278
90; 117.28; 90
5236Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok
Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)
IUCrJ, 2022, 9, 43-48
1565849 CIF
Paper
Cu H10 O9 SP -15.9523; 6.1001; 10.647
77.308; 82.353; 72.64
359.02Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.
Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate
IUCrJ, 2022, 9, 73-85
1565850 CIFCu H10 O9 SP -15.9523; 6.1001; 10.647
77.308; 82.353; 72.64
359.02Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.
Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate
IUCrJ, 2022, 9, 73-85
1565851 CIFCu H10 O9 SP -15.9523; 6.1001; 10.647
77.308; 82.353; 72.64
359.016Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.
Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate
IUCrJ, 2022, 9, 73-85
1565852 CIFCu H10 O9 SP -15.9523; 6.1001; 10.647
77.308; 82.353; 72.64
359.016Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.
Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate
IUCrJ, 2022, 9, 73-85
1565853 CIF
Paper
C73 H100 O6P 1 21/c 116.252; 23.5373; 17.2102
90; 101.773; 90
6444.9Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565854 CIF
Paper
C66 H84 O6P -19.59; 18.199; 18.547
114.31; 91.36; 91.7
2946Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565855 CIF
Paper
C70 H92 Cl8 O6P -113.8727; 16.0717; 17.6177
77.127; 66.915; 76.404
3474.5Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565856 CIF
Paper
C68 H88 Cl4 O6P -112.261; 17.2425; 17.417
118.625; 92.647; 98.062
3172.8Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565857 CIF
Paper
C84 H102 O6P -113.5391; 14.7702; 19.045
80.68; 72.393; 78.191
3532.8Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565858 CIF
Paper
C69 H90 Cl6 O6P 1 21/c 117.8792; 19.6559; 18.9669
90; 96.732; 90
6619.6Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565859 CIF
Paper
C72 H96 O6P 1 21/n 117.2109; 18.2986; 19.6172
90; 94.521; 90
6158.9Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565860 CIF
Paper
C73 H92 O6P 1 21/n 117.1817; 18.7393; 19.4157
90; 95.843; 90
6218.9Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565861 CIF
Paper
C69 H90 O8P 1 21/n 117.0366; 18.4996; 19.762
90; 94.288; 90
6210.96Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565862 CIF
Paper
C70 H92 O7P 1 21/n 117.1261; 17.8832; 19.8489
90; 93.914; 90
6064.9Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565863 CIF
Paper
C73 H92 O7P -114.1349; 16.1763; 17.0355
83.979; 72.392; 73.292
3555.3Malinska, Maura
Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents
IUCrJ, 2022, 9, 55-64
1565864 CIF
Paper
C4 H2 Cl N5P 21 21 217.0651; 8.7859; 10.0906
90; 90; 90
626.36Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565865 CIFC4 H2 Cl N5P 21 21 217.0604; 8.78; 10.0712
90; 90; 90
624.32Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565866 CIFC4 H2 Cl N5P 21 21 217.0533; 8.7742; 10.0552
90; 90; 90
622.29Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565867 CIFC4 H2 Cl N5P 21 21 217.0476; 8.7682; 10.0363
90; 90; 90
620.19Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565868 CIFC4 H2 Cl N5P 21 21 217.0422; 8.7617; 10.0158
90; 90; 90
617.99Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565869 CIFC4 H2 Cl N5P 21 21 217.0473; 8.7636; 10.0299
90; 90; 90
619.44Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565870 CIFC4 H2 Cl N5P 21 21 217.0342; 8.7569; 10.0049
90; 90; 90
616.28Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565871 CIFC4 H2 Cl N5P 21 21 217.0336; 8.7575; 10.0065
90; 90; 90
616.37Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565872 CIFC4 H2 Cl N5P 21 21 217.0291; 8.7539; 9.9932
90; 90; 90
614.902Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565873 CIFC4 H2 Cl N5P 21 21 217.0245; 8.7517; 9.9817
90; 90; 90
613.638Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565874 CIFC4 H2 Cl N5P 21 21 217.0753; 8.7825; 10.099
90; 90; 90
627.5Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565875 CIFC4 H2 Cl N5P 21 21 216.934; 8.7568; 10.029
90; 90; 90
609Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565876 CIFC4 H2 Cl N5P n m a10.697; 6.2545; 8.8012
90; 90; 90
588.8Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565877 CIFC4 H2 Cl N5P n m a10.654; 6.1954; 8.7823
90; 90; 90
579.68Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565878 CIFC4 H2 Cl N5P 21 21 217.0542; 8.7774; 10.1041
90; 90; 90
625.62Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54
1565879 CIFC4 H2 Cl N5P 21 21 217.0733; 8.7965; 10.042
90; 90; 90
624.8Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej
Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure
IUCrJ, 2022, 9, 49-54

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