Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 76

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2022007 CIFC H3 O3P 1 21/c 16.092; 3.4919; 11.8481
90; 103.898; 90		244.66Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022008 CIFC2 H2 N4 O3P 1 21/c 19.3255; 5.4503; 9.04
90; 101.474; 90		450.29Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022009 CIFC33 H23 N OP 1 21/c 111.1055; 11.6712; 18.0627
90; 102.675; 90		2284.13Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022010 CIFC6 H14 N2 O7P 21 21 219.659; 9.672; 10.739
90; 90; 90		1003.26Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022011 CIFC7 H13 N O5P 21 21 219.902; 9.248; 10.166
90; 90; 90		930.9Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022012 CIFC41 H77.768 N2 O15.884P 21 21 2111.624; 16.748; 24.018
90; 90; 90		4675.8Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022013 CIFC12 H14 N2 O4P 21 21 215.2951; 8.1213; 27.256
90; 90; 90		1172.09Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022014 CIFC3 H6 N6 O6P b c a11.379; 10.5694; 13.1314
90; 90; 90		1579.3Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022015 CIFC3 H7 N O3P 1 21/a 110.7764; 9.1947; 4.7788
90; 106.87; 90		453.13Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022016 CIFC9 H14 N2 O2 SP -17.2934; 7.8145; 10.2181
87.055; 70.569; 72.898		524.22Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022017 CIFC14 H11 N O2P b c a11.827; 7.875; 23.504
90; 90; 90		2189.1Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022018 CIFC3 H7 N O2P 21 21 215.789; 5.9387; 12.2516
90; 90; 90		421.2Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022019 CIFC H3 O3P 1 21/c 16.0954; 3.4948; 11.8499
90; 103.939; 90		244.996Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022020 CIFC8 H16 N2 O3 SP 1 21/c 113.089; 5.329; 15.921
90; 108.57; 90		1052.7Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022021 CIFC7 H13 N O5P 21 21 219.866; 9.25; 10.149
90; 90; 90		926.2Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022022 CIFC H3 O3P 1 21/c 16.095; 3.4881; 11.8462
90; 103.842; 90		244.54Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022023 CIFC13 H19 N3 O6P 21 21 217.984; 9.535; 18.352
90; 90; 90		1397.1Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022024 CIFC16 H11 N O3P b c a12.925; 8.273; 23.954
90; 90; 90		2561.4Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022025 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90		145.8Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022026 CIFC2 H5 N3 O SP 1 21/c 17.2359; 7.3713; 9.4768
90; 98.403; 90		500.05Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022027 CIFC6 H18 Cl2 N2 O4P 15.4491; 7.3962; 8.1337
79.382; 73.191; 69.544		292.75Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022028 CIFC7 H13 N O5P 21 21 219.853; 9.251; 10.145
90; 90; 90		924.7Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022029 CIFC7 H13 N O5P 21 21 219.884; 9.253; 10.155
90; 90; 90		928.7Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022030 CIFC5 H10 N2 O3P 21 21 217.4541; 9.4918; 9.7287
90; 90; 90		688.3Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022031 CIFC17 H21 N O4P 21 21 217.431; 13.769; 14.944
90; 90; 90		1529Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022032 CIFC H3 O3P 1 21/c 16.0988; 3.4954; 11.8455
90; 103.927; 90		245.096Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022033 CIFC H3 O3P 1 21/c 16.0939; 3.4965; 11.8441
90; 103.951; 90		244.92Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022034 CIFC3 H7 N O2P 21 21 216.6558; 7.8903; 8.6069
90; 90; 90		452.002Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022035 CIFC4 H7 N3 O2P 1 21/c 17.7161; 9.8337; 7.5131
90; 100.523; 90		560.49Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022036 CIFC22 H36 N6 O7P 21 21 2110.128; 12.486; 19.507
90; 90; 90		2466.8Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022037 CIFC5 H10 N2 O3P 21 21 217.4587; 9.4928; 9.725
90; 90; 90		688.57Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022038 CIFC16 H17 N O2P 1 21/n 18.5755; 10.1627; 14.2676
90; 95.249; 90		1238.21Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022039 CIFC3 H6 N6 O6P b c a11.4425; 10.6106; 13.1558
90; 90; 90		1597.27Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022040 CIFC11 H21 N3 O5P 21 21 216.825; 9.042; 21.728
90; 90; 90		1340.9Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022041 CIFC H3 O3P 1 21/c 16.0937; 3.4929; 11.8533
90; 103.948; 90		244.85Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022042 CIFC4 H9 N O3P 21 21 219.1735; 11.4736; 5.4171
90; 90; 90		570.166Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022043 CIFC7 H13 N O5P 21 21 219.854; 9.249; 10.144
90; 90; 90		924.52Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022044 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90		656.3Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022045 CIFC13 H19 N O5P 21 21 217.235; 13.056; 14.415
90; 90; 90		1361.6Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022046 CIFC18 H28 N4 O5P 1 21 19.598; 8.939; 12.17
90; 108.75; 90		988.7Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022047 CIFC8 H18 N2 O4 SP b c a8.3222; 9.5441; 27.0123
90; 90; 90		2145.53Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022048 CIFC10 H10 N4 O2P 1 21/c 111.0104; 10.0398; 18.604
90; 97.32; 90		2039.77Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022049 CIFC H3 O3P 1 21/c 16.0889; 3.487; 11.8299
90; 103.93; 90		243.786Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022050 CIFC8 H8 N2 O2P -15.7913; 8.2458; 8.9223
116.823; 104.589; 91.602		362.99Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022051 CIFC5 H10 N2 O3P 21 21 217.4871; 9.4966; 9.7078
90; 90; 90		690.2Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022052 CIFC6 H6 N12 O12P 1 21/n 18.789; 12.474; 13.279
90; 106.578; 90		1395.3Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022053 CIFC6 H8 O2C 1 2/m 112.402; 6.47; 6.321
90; 93.69; 90		506.2Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022054 CIFC H3 O3P 1 21/c 16.0931; 3.4921; 11.8409
90; 103.842; 90		244.63Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022055 CIFC H3 O3P 1 21/c 16.0903; 3.4959; 11.8348
90; 103.917; 90		244.579Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022056 CIFC19 H14 N2 O2P 21 21 217.875; 9.892; 18.843
90; 90; 90		1467.9Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022057 CIFC H6 N O3 PP b c a8.977; 9.186; 10.003
90; 90; 90		824.9Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022058 CIFC5 H11 N4 O4 PP 1 21/n 15.8389; 19.3579; 8.0338
90; 97.203; 90		900.88Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022059 CIFC5 H10 N2 O3P 21 21 217.4583; 9.4892; 9.7301
90; 90; 90		688.6Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022060 CIFC H3 O3P 1 21/c 16.0988; 3.497; 11.8494
90; 103.922; 90		245.294Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022061 CIFC9 H6 O SP 21 21 214.0515; 10.1749; 17.6519
90; 90; 90		727.67Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022062 CIFC15 H26.269 N3 O7.634P 1 21 18.121; 9.299; 12.532
90; 91.21; 90		946.2Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022063 CIFC17 H30 F N3 O9P -19.507; 9.9649; 11.0233
94.182; 100.118; 91.432		1024.57Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022064 CIFC15 H29 N5 O6P 1 21 18.741; 9.42; 11.989
90; 95.49; 90		982.6Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022065 CIFC6 H16 Cl2 N2 O3P 1 21 18.6224; 7.0489; 9.8061
90; 106.486; 90		571.5Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022066 CIFC10 H14 N2 O5P 21 21 214.8462; 13.901; 16.316
90; 90; 90		1099.2Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022067 CIFC10 H10 N4 O2P 1 21/c 111.047; 10.129; 18.652
90; 97.223; 90		2070.5Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022068 CIFC H3 O3P 1 21/c 16.091; 3.4928; 11.8372
90; 103.901; 90		244.46Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022069 CIFC10 H10 N4 O2P 1 21/c 110.978; 10.006; 18.488
90; 97.223; 90		2014.7Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022070 CIFC5 H13 Cl N2 O2P 1 21 19.948; 7.9637; 4.9826
90; 83.13; 90		391.902Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022071 CIFC8 H17 N3 O5P 1 21 110.207; 4.78; 11.955
90; 101.39; 90		571.8Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022072 CIFC4 H4 N2 O SP -14.2427; 5.9648; 10.5801
105.736; 94.912; 91.927		256.32Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022073 CIFC1.25 H3 OI -46.0867; 6.0867; 8.4958
90; 90; 90		314.752Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022074 CIFC4 H3 N3 OP n a 2112.584; 9.699; 3.674
90; 90; 90		448.4Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022075 CIFC10 H10 N4 O2P 1 21/c 111.0299; 10.0921; 18.6365
90; 97.238; 90		2057.99Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022076 CIFC7 H6 O3P 1 21/c 14.8818; 11.2009; 11.2335
90; 92.621; 90		613.61Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022077 CIFC H3 O3P 1 21/c 16.0893; 3.4965; 11.8311
90; 103.883; 90		244.54Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022078 CIFC6 H16 N2 O6P 21 21 219.572; 10.039; 10.548
90; 90; 90		1013.6Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022079 CIFC2 H4 N4 O4P 1 21/n 16.922; 6.501; 11.262
90; 90.485; 90		506.77Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022080 CIFC13 H10 N2 O2P 1 21/c 113.659; 6.256; 12.862
90; 107; 90		1051Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022081 CIFC6 H15 Cl N2 O3P 21 21 215.4315; 9.8019; 17.3505
90; 90; 90		923.72Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2022082 CIFC17 H27 N3 O6P 1 21 18.845; 9.057; 12.364
90; 94.56; 90		987.3Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
2108566 CIF
HKL		C7 H7.75 N Na O4.875 SP 1 21/n 118.6212; 28.4622; 29.1642
90; 93.4511; 90		15429Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander
On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace
Acta Crystallographica Section B, 2020, 76
2108567 CIF
HKL		C7 H4 N Na O4.875 SC 1 2/n 118.6212; 7.11555; 29.1642
90; 93.4511; 90		3857.25Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander
On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace
Acta Crystallographica Section B, 2020, 76
2108568 CIF
HKL		C11 H9 N O SP 1 21/c 115.0288; 5.3086; 24.444
90; 99.133; 90		1925.47Sweeting, Stephen G.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Warren, Stephen D.; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Hall, Simon R.
The solubility and stability of heterocyclic chalcones compared with <i>trans</i>-chalcone
Acta Crystallographica Section B, 2020, 76
2108569 CIF
HKL
Paper		Cd41 Ir8R -3 :H14.896; 14.896; 16.0338
90; 90; 120		3081.1Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108570 CIF
HKL
Paper		Cd86.45 Cu7.147 Ir7.318F -4 3 m19.9445; 19.9445; 19.9445
90; 90; 90		7933.6Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108571 CIF
HKL
Paper		Cd86.366 Cu7.584 Ir6.698F -4 3 m19.922; 19.922; 19.922
90; 90; 90		7907Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108572 CIF
HKL
Paper		Cd81.199 Cu15.659 Ir5.873F -4 3 m19.785; 19.785; 19.785
90; 90; 90		7744.8Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108573 CIF
HKL
Paper		Cd81.64 Cu15.796 Ir5.306F -4 3 m19.8332; 19.8332; 19.8332
90; 90; 90		7801.5Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108574 CIF
HKL
Paper		Cd80.144 Cu17.218 Ir5.638F -4 3 m19.7041; 19.7041; 19.7041
90; 90; 90		7650.1Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108575 CIF
HKL		C9 H11 N O2P 1 21/c 18.1928; 5.4539; 20.07
90; 91.47; 90		896Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108576 CIF
HKL		C9 H11 N O2P 1 21/c 18.24; 5.4015; 19.519
90; 91.55; 90		868Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108577 CIF
HKL		C9 H11 N O2P 1 21/c 16.305; 5.1839; 24.94
90; 96.25; 90		810Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108578 CIF
HKL		C9 H11 N O2P 1 21/c 16.3679; 5.1671; 24.58
90; 96.25; 90		804Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108579 CIF
HKL		C9 H11 N O2P 1 21/c 16.341; 5.1594; 24.52
90; 96.05; 90		798Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108580 CIF
HKL		C9 H11 N O2P 1 21/c 18.171; 5.3995; 19.515
90; 92; 90		860.5Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108581 CIF
HKL		C9 H11 N O2P 1 21/c 16.3608; 5.183; 24.75
90; 96.66; 90		810.5Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108582 CIF
HKL		C9 H11 N O2P 1 21/c 16.3399; 5.1789; 24.8
90; 96.58; 90		809Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108583 CIF
HKL
Paper		C30 H44 N30 O32 V10P -111.3756; 11.5611; 14.0894
73.533; 67.176; 60.845		1481.18Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan
Crystal engineering of an adenine‒decavanadate molecular device towards label-free chemical sensing and biological screening
Acta Crystallographica Section B, 2020, 76
2108584 CIF
HKL		C8 H7 N O3P 1 21/c 18.7958; 7.5909; 10.8134
90; 104.722; 90		698.29Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
Acta Crystallographica Section B, 2020, 76
2108585 CIF
HKL		C10 H11 N O3P 1 21/c 18.74; 10.989; 9.736
90; 90.75; 90		935Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
Acta Crystallographica Section B, 2020, 76
2108586 CIF
HKL		C10 H11 N O3P -17.8898; 8.5729; 14.2922
88.333; 89.646; 73.099		924.56Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
Acta Crystallographica Section B, 2020, 76
2108587 CIF
HKL		C9 H9 N O4P 1 21/n 111.6065; 7.3059; 20.0511
90; 99.977; 90		1674.54Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
Acta Crystallographica Section B, 2020, 76
2108588 CIF
HKL		C24 H14 Cu N6 O12P 1 21/c 111.2998; 25.77; 9.3086
90; 111.894; 90		2515.1Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.
Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes
Acta Crystallographica Section B, 2020, 76
2108589 CIF
HKL		C52 H28 Cu2 N12 O24P 1 21/c 111.285; 26.65; 9.4293
90; 111.31; 90		2641.9Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.
Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes
Acta Crystallographica Section B, 2020, 76
2108590 CIF
HKL
Paper		C25 H44 Cl N O10P 21 21 2116.3296; 16.3759; 31.1186
90; 90; 90		8321.5Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng
Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form
Acta Crystallographica Section B, 2020, 76
2108591 CIF
HKL		C28 H50 Cu N6 O7P -110.946; 12.502; 13.029
70.34; 79.99; 73.06		1600.5Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun
Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand
Acta Crystallographica Section B, 2020, 76
2108592 CIF
HKL		C30 H52 Cu N6 O6P b c n11.386; 14.063; 21.427
90; 90; 90		3430.9Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun
Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand
Acta Crystallographica Section B, 2020, 76
2108593 CIF
HKL		C60 H80 O46P -110.2989; 14.3586; 14.5679
115.521; 103.49; 100.116		1794.4Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M.
Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties
Acta Crystallographica Section B, 2020, 76
2108594 CIF
HKL		C30 H40 O20P -17.5073; 8.0208; 14.723
77.133; 79.494; 84.408		848.29Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M.
Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties
Acta Crystallographica Section B, 2020, 76
2108595 CIF
HKL
Paper		C34 H44 Mg N6 O10 S2P 1 21/c 117.475; 8.051; 14.19
90; 109.91; 90		1877.1Abouhakim, Hanane; Nilsson Lill, Sten O.; Quayle, Michael J.; Norberg, Stefan T.; Hassanpour, Ali; Pask, Christopher M.
The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate
Acta Crystallographica Section B, 2020, 76
2108596 CIFC10 H8 N4 O5P 1 21/c 111.67; 11.4666; 8.494
90; 106.848; 90		1087.8Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta
Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography
Acta Crystallographica Section B, 2020, 76
2108597 CIF
HKL		C20 H16 N8 O10P -122.183; 12.546; 5.3092
51.074; 92.16; 97.31		1138.5Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta
Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography
Acta Crystallographica Section B, 2020, 76
2108598 CIF
HKL		C21 H14 N2 O2P -13.82563; 6.50848; 15.2148
89.522; 91.9447; 101.226		371.37Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U.
Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations
Acta Crystallographica Section B, 2020, 76
2108599 CIFC24 H22 F4 Si2P 1 21/c 16.7352; 14.8514; 23.3648
90; 94.735; 90		2329.1Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Acta Crystallographica Section B, 2020, 76
2108600 CIF
HKL
Paper		C24 H22 F4 Si2P 1 21/c 16.905; 14.948; 23.66
90; 94.82; 90		2433.5Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Acta Crystallographica Section B, 2020, 76
2108601 CIF
HKL		C36 H50 Si2P -18.602; 10.085; 11.209
115.07; 102.61; 98.82		825.6Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Acta Crystallographica Section B, 2020, 76
2108602 CIF
HKL
Paper		C21 H20 Cl N2 O3 ReP 1 21/c 17.2923; 23.44; 12.75
90; 106.337; 90		2091.4Kia, Reza; Kalaghchi, Azadeh
Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
Acta Crystallographica Section B, 2020, 76
2108603 CIF
HKL		C23 H24.4 Cl N2 O3 ReP 1 21/c 18.2294; 36.355; 8.1035
90; 105.614; 90		2334.9Kia, Reza; Kalaghchi, Azadeh
Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
Acta Crystallographica Section B, 2020, 76
2108604 CIF
HKL		C25 H28 Cl N2 O3 ReP 1 21/c 19.998; 30.878; 8.209
90; 98.497; 90		2506.5Kia, Reza; Kalaghchi, Azadeh
Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
Acta Crystallographica Section B, 2020, 76
2108605 CIF
HKL		C29 H36 Cl N2 O3 ReP n m a13.0248; 21.7653; 10.421
90; 90; 90		2954.2Kia, Reza; Kalaghchi, Azadeh
Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
Acta Crystallographica Section B, 2020, 76
2108606 CIF
HKL		C52 H32 N8 O8 S2 Zn2P 1 21/c 17.8461; 20.359; 29.189
90; 94.612; 90		4647.5Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang
A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks
Acta Crystallographica Section B, 2020, 76
2108607 CIF
HKL		C36 H58 O4P 1 21/c 122.486; 8.8585; 8.3874
90; 96.221; 90		1660.9Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Acta Crystallographica Section B, 2020, 76
2108608 CIF
HKL		C28 H38 O6P -18.554; 8.6844; 9.81
100.26; 109.1; 100.53		654.5Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Acta Crystallographica Section B, 2020, 76
2108609 CIF
HKL		C18 H18 O6P 1 21 111.304; 10.064; 14.496
90; 107.822; 90		1570Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Acta Crystallographica Section B, 2020, 76
2108610 CIF
HKL		C16 H18 O4P 1 21/c 113.1; 7.6709; 15.2881
90; 110.181; 90		1441.97Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Acta Crystallographica Section B, 2020, 76
2108611 CIFC9 H13 N O2 S2P 1 21/n 19.8106; 10.5345; 10.4312
90; 91.787; 90		1077.54Vénosová, Barbora; Koziskova, Julia; Kožíšek, Jozef; Herich, Peter; Lušpai, Karol; Petricek, Vaclav; Hartung, Jens; Müller, Mike; Hübschle, Christian B.; van Smaalen, Sander; Bucinsky, Lukas
Charge density of 4-methyl-3-[(tetrahydro-2<i>H</i>-pyran-2-yl)oxy]thiazole-2(3<i>H</i>)-thione. A comprehensive multipole refinement, maximum entropy method and density functional theory study
Acta Crystallographica Section B, 2020, 76
2108612 CIF
HKL		Mo O6 Pr2I -4 c 25.696; 5.696; 31.6796
90; 90; 90		1027.83Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.
Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg
Acta Crystallographica Section B, 2020, 76
2108613 CIF
HKL		Mg0.026 Mo0.974 O5.94 Pr2I -4 c 25.6979; 5.6979; 31.7012
90; 90; 90		1029.21Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.
Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg
Acta Crystallographica Section B, 2020, 76
2108614 CIF
HKL		Al Cu K O8 P2P 1 21/c 15.027; 14.047; 9.263
90; 102.29; 90		639.11Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga
Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure
Acta Crystallographica Section B, 2020, 76
2108615 CIF
HKL		Al3 K2 O16 P3 Si ZnC 1 2/c 113.234; 13.121; 8.6581
90; 100.14; 90		1479.9Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga
Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure
Acta Crystallographica Section B, 2020, 76
2108616 CIF
HKL		Ca2 H14 O23 P2 U3P b c a17.3785; 15.9864; 13.5477
90; 90; 90		3763.8Plášil, Jakub; Kiefer, Boris; Ghazisaeed, Seyedat; Philippo, Simon
Hydrogen bonding in the crystal structure of phurcalite, Ca~2~[(UO~2~)~3~O~2~(PO~4~)~2~]·7H~2~O: single-crystal X-ray study and TORQUE calculations
Acta Crystallographica Section B, 2020, 76
2108617 CIF
HKL		Ga105.3 Mg69.48 Ni48F d -3 m :219.8621; 19.8621; 19.8621
90; 90; 90		7835.7Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut
New cubic cluster phases in the Mg‒Ni‒Ga system
Acta Crystallographica Section B, 2020, 76
2108618 CIF
HKL		Ga8 Mg24 Ni16F d -3 m :211.4886; 11.4886; 11.4886
90; 90; 90		1516.4Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut
New cubic cluster phases in the Mg‒Ni‒Ga system
Acta Crystallographica Section B, 2020, 76
2108619 CIF
HKL		C13 H22 N2 O5P 1 21/c 19.8441; 10.8561; 13.5205
90; 96.728; 90		1435Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie
Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer
Acta Crystallographica Section B, 2020, 76
2108620 CIF
HKL		C13 H20 N2 O4P -18.2881; 9.5302; 10.6708
113.46; 105.99; 99.162		707.87Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie
Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer
Acta Crystallographica Section B, 2020, 76
2108621 CIF
HKL		C26 H31.34 N6 Ni2 O16.67P -110.1294; 12.2011; 14.243
82.035; 74.232; 79.373		1657.7Chahkandi, Mohammad; Keivanloo Shahrestanaki, Abolfazl; Mirzaei, Masoud; Nawaz Tahir, Muhammad; Mague, Joel T.
Crystal and molecular structure of [Ni{2-H~2~NC(=O)C~5~H~4~N}~2~(H~2~O)~2~][Ni{2,6-(O~2~C)~2~C~5~H~3~N}~2~]·4.67H~2~O; DFT studies on hydrogen bonding energies in the crystal
Acta Crystallographica Section B, 2020, 76
2108622 CIFC3 H18 F9 Gd O18 S3P 63/m13.7828; 13.7828; 7.3148
90; 90; 120		1203.39Janicki, Rafał; Starynowicz, Przemysław
Analysis of charge density in nonaaquagadolinium(III) trifluoromethanesulfonate ‒ insight into Gd^III^—OH~2~ bonding
Acta Crystallographica Section B, 2020, 76
2108623 CIF
HKL		C23 H16 Ag2 N3 S16P -115.0062; 8.582; 13.3243
89.984; 91.447; 90.002		1715.4Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul
New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid
Acta Crystallographica Section B, 2020, 76
2108624 CIF
HKL		C23 H16 Ag2 N3 S16P -115.0831; 8.6447; 13.4755
90.012; 91.364; 89.998		1756.56Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul
New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid
Acta Crystallographica Section B, 2020, 76
2108625 CIF
HKL		C22 H17 F4 N OP 1 21 18.21; 6.33; 17.277
90; 102.41; 90		876.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108626 CIF
HKL		C22 H17 F4 N OP 1 21/c 19.705; 13.476; 13.843
90; 101.159; 90		1776.2Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108627 CIF
HKL		C22 H17 F4 N OP 1 21/c 19.642; 13.292; 13.931
90; 99.89; 90		1758.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108628 CIF
HKL		C22 H17 F4 N OP 1 21 18.317; 6.0774; 17.513
90; 103.095; 90		862.2Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108629 CIF
HKL		C22 H17 F4 N OP 1 21/c 113.366; 11.6008; 30.052
90; 130.787; 90		3528.1Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108630 CIF
HKL		C22 H17 F4 N OC 1 2/c 122.323; 13.499; 11.828
90; 98.459; 90		3525Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108631 CIF
HKL		C22 H17 F4 N OC 1 2/c 136.448; 6.1171; 16.087
90; 102.193; 90		3505.8Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108632 CIF
HKL		C22 H17 F4 N OP c a 2116.559; 17.595; 6.1048
90; 90; 90		1778.7Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108633 CIF
HKL		C22 H17 F4 N OP 1 21/c 19.445; 21.293; 9.59
90; 112.96; 90		1775.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108634 CIF
HKL		C22 H17 F4 N OC 1 2/c 136.079; 6.2372; 16.051
90; 104.627; 90		3494.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108635 CIF
HKL		C22 H17 F4 N OP 1 c 117.468; 6.2025; 16.338
90; 92.208; 90		1768.8Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108636 CIFC22 H17 F4 N OP 1 21/c 118.194; 6.147; 16.182
90; 104.903; 90		1748.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108637 CIF
HKL		C22 H17 F4 N OP 1 n 17.6714; 7.1287; 16.428
90; 100.298; 90		883.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108638 CIF
HKL		C22 H17 F4 N OP b c a16.643; 6.1042; 35.217
90; 90; 90		3577.8Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108639 CIF
HKL		C22 H17 F4 N OP 1 21/c 112.287; 11.3169; 22.191
90; 145.954; 90		1727.5Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108640 CIF
HKL		C22 H17 F4 N OP 1 21/c 112.947; 10.4113; 22.59
90; 145.306; 90		1733.2Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108641 CIFC22 H17 F4 N OP -111.137; 11.8983; 15.127
73.675; 71.73; 72.936		1779.74Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108642 CIF
HKL		C22 H17 F4 N OP -110.6975; 13.2186; 13.6339
68.667; 80.428; 81.09		1761.4Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108643 CIF
HKL		C22 H17 F4 N OP 1 21/c 111.322; 12.437; 20.012
90; 140.922; 90		1776.4Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108644 CIF
HKL		C22 H21 N OP b c a10.3744; 16.379; 19.851
90; 90; 90		3373.1Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108645 CIF
HKL
Paper		C21 H16 N2 O4B 1 21 115.5993; 49.062; 15.6099
90; 119.896; 90		10357Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean
Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione
Acta Crystallographica Section B, 2020, 76
2108646 CIF
HKL		Al3 B4 O12 SmC 1 2/c 17.2386; 9.3412; 11.1013
90; 103.224; 90		730.73Oreshonkov, A. S.; Shestakov, N. P.; Molokeev, M. S.; Aleksandrovsky, A. S.; Gudim, I. A.; Temerov, V. L.; Adichtchev, S. V.; Pugachev, A. M.; Nemtsev, I. V.; Pogoreltsev, E. I.; Denisenko, Y. G.
Monoclinic SmAl~3~(BO~3~)~4~: synthesis, structural and spectroscopic properties
Acta Crystallographica Section B, 2020, 76
2108647 CIFB4 Ca3 Eu2 O12P n m a7.20378; 15.57492; 8.63406
90; 90; 90		968.727Kosyl, Katarzyna M.; Paszkowicz, Wojciech; Shekhovtsov, Alexey N.; Kosmyna, Miron B.; Antonowicz, Jerzy; Olczak, Adam; Fitch, Andrew N.
Variation of cation distribution with temperature and its consequences on thermal expansion for Ca~3~Eu~2~(BO~3~)~4~
Acta Crystallographica Section B, 2020, 76, 554-562
2108648 CIF
Paper		B Fe2.654 Mg0.346 O5P b a m9.3914; 12.3034; 3.0697
90; 90; 90		354.69Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V.
Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis
Acta Crystallographica Section B, 2020, 76, 543-553
2108649 CIF
Paper		B Fe2.654 Mg0.346 O5P b a m9.425; 12.3528; 3.0799
90; 90; 90		358.58Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V.
Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis
Acta Crystallographica Section B, 2020, 76, 543-553
2108650 CIFC2 D10 O3 SP 1 21/c 16.30238; 9.05654; 11.22025
90; 105.969; 90		615.714Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V.
On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system
Acta Crystallographica Section B, 2020, 76
2108651 CIFC2 D12 O4 SP 1 21/c 110.266194; 7.01113; 10.068968
90; 101.503; 90		710.183Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V.
On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system
Acta Crystallographica Section B, 2020, 76
2108652 CIF
HKL		Cl NaF m -3 m5.6035; 5.6035; 5.6035
90; 90; 90		175.95Tsirelson, Vladimir; Stash, Adam
Orbital-free quantum crystallography: view on forces in crystals
Acta Crystallographica Section B, 2020, 76
2108653 CIFF120 Ga20 K60I 41/a :219.1124; 19.1124; 34.4165
90; 90; 90		12571.8King, Graham
New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~
Acta Crystallographica Section B, 2020, 76
2108654 CIFF30 Ga5 K15I 4/m13.6088; 13.6088; 8.6764
90; 90; 90		1606.86King, Graham
New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~
Acta Crystallographica Section B, 2020, 76
2108655 CIFF6 Ga K3F m -3 m8.6649; 8.6649; 8.6649
90; 90; 90		650.565King, Graham
New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~
Acta Crystallographica Section B, 2020, 76
2108656 CIF
HKL		C29 H20 Br3 Mn O4 P2 SC 1 2 115.366; 16.035; 14.327
90; 91.21; 90		3529.3Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier
The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions
Acta Crystallographica Section B, 2020, 76
2108657 CIF
HKL
Paper		C260 H264 N24 O40I 4 2 221.91; 21.91; 25.44
90; 90; 90		12212Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz
C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR
Acta Crystallographica Section B, 2020, 76
2108658 CIF
HKL		C15 H18 N2 O4C 1 2/c 112.741; 7.7542; 29.3961
90; 98.6; 90		2871.57Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.
Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions
Acta Crystallographica Section B, 2020, 76
2108659 CIF
HKL		C15 H18 N2 O4P 1 21/c 17.3324; 29.277; 7.4171
90; 117.402; 90		1413.6Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.
Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions
Acta Crystallographica Section B, 2020, 76
2108660 CIF
HKL		C15 H18 N2 O4P -17.119; 7.2678; 15.0171
78.012; 82.182; 66.007		693.2Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.
Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions
Acta Crystallographica Section B, 2020, 76
2108661 CIF
HKL		C15 H18 N2 O4P 1 21/c 17.3901; 25.1748; 8.0438
90; 108.992; 90		1415.04Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.
Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions
Acta Crystallographica Section B, 2020, 76
2108662 CIF
HKL		C15 H18 N2 O4P -113.1277; 13.977; 17.802
80.629; 82.485; 62.419		2850.8Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.
Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions
Acta Crystallographica Section B, 2020, 76
2108663 CIF
HKL		Cl10 H20 Li4 O11 Ru2P -18.0548; 10.7806; 13.7195
78.551; 80.825; 72.1629		1105.28Mudiyanselage, Ranuri S Dissanayaka; Marshall, Madalynn; Kong, Tai; Xie, Weiwei
Li~4~Ru~2~OCl~10~·10H~2~O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes
Acta Crystallographica Section B, 2020, 76
2108664 CIF
HKL		K3 Mo6 Na Ni4 O24R -3 c :H14.279; 14.279; 19.7589
90; 90; 120		3488.9Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.
Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity
Acta Crystallographica Section B, 2020, 76
2108665 CIF
HKL		K2.51 Mo6 Na1.49 Ni4 O24R -3 c :H14.2719; 14.2719; 19.8063
90; 90; 120		3493.8Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.
Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity
Acta Crystallographica Section B, 2020, 76
2108666 CIF
HKL		K3 Mg4 Mo6 Na O24R -3 c :H14.4528; 14.4528; 19.8894
90; 90; 120		3597.96Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.
Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity
Acta Crystallographica Section B, 2020, 76
2108667 CIF
HKL		K2.88 Mg4 Mo6 Na1.12 O24R -3 c :H14.4673; 14.4673; 19.9186
90; 90; 120		3610.5Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.
Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity
Acta Crystallographica Section B, 2020, 76
2108668 CIF
HKL		Co4 K3 Mo6 Na O24R -3 c :H14.4638; 14.4638; 19.8369
90; 90; 120		3593.93Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.
Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity
Acta Crystallographica Section B, 2020, 76
2108669 CIF
HKL		K3.11 Li0.89 Mg4 Mo6 O24R -3 c :H14.3541; 14.3541; 19.7338
90; 90; 120		3521.22Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.
Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity
Acta Crystallographica Section B, 2020, 76
2108670 CIF
Paper		C3 H8 N2 O6 P2P n n a7.014; 8.361; 14.389
90; 90; 90		843.8Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.
Crystal structures and phase transitions of imidazolium hypodiphosphates
Acta Crystallographica Section B, 2020, 76
2108671 CIF
HKL
Paper		C3 H8 N2 O6 P2P n n a6.962; 8.368; 14.388
90; 90; 90		838.2Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.
Crystal structures and phase transitions of imidazolium hypodiphosphates
Acta Crystallographica Section B, 2020, 76
2108672 CIF
HKL
Paper		C3 H8 N2 O6 P2P 21/n 1 113.673; 8.396; 14.317
90.57; 90; 90		1643.5Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.
Crystal structures and phase transitions of imidazolium hypodiphosphates
Acta Crystallographica Section B, 2020, 76
2108673 CIF
HKL
Paper		C6 H12 N4 O6 P2P 43 21 28.966; 8.966; 15.462
90; 90; 90		1243Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.
Crystal structures and phase transitions of imidazolium hypodiphosphates
Acta Crystallographica Section B, 2020, 76
2108674 CIF
HKL		C23 H26 F N3 O6P 1 21 16.49617; 7.41888; 23.587
90; 92.9418; 90		1135.26Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.
Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties
Acta Crystallographica Section B, 2020, 76
2108675 CIF
HKL		C23 H28 F N3 O8P 21 21 216.428; 6.987; 52.001
90; 90; 90		2335.5Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.
Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties
Acta Crystallographica Section B, 2020, 76
2108676 CIFC23 H26 F N3 O8P 21 21 214.7535; 15.801; 29.855
90; 90; 90		2242.41Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.
Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties
Acta Crystallographica Section B, 2020, 76
2108677 CIF
HKL		C46 H54.5 F2 N6 O17.25P 21 21 230.3989; 16.1024; 9.66944
90; 90; 90		4733.14Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.
Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties
Acta Crystallographica Section B, 2020, 76
2108678 CIF
HKL		C23 H28 F N3 O10P 1 21 116.78184; 15.47624; 19.5982
90; 105.758; 90		4898.74Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.
Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties
Acta Crystallographica Section B, 2020, 76
2108679 CIFCu Ge9 O24 Sr5P 1 2/c 111.8817; 8.19277; 10.3237
90; 101.597; 90		984.43Klein, Holger; Kodjikian, Stéphanie; Philippe, Rémy; Ding, Lei; Colin, Claire V.; Darie, Céline; Bordet, Pierre
Three different Ge environments in a new Sr~5~CuGe~9~O~24~ phase synthesized at high pressure and high temperature
Acta Crystallographica Section B, 2020, 76, 727-732
2108680 CIF
HKL
Paper		C12 H13 N O8P 21 21 229.1612; 9.207; 4.7387
90; 90; 90		1272.28Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.
A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization
Acta Crystallographica Section B, 2020, 76
2108681 CIF
HKL		C12 H13 N O8P 21 21 229.0583; 9.15479; 4.70223
90; 90; 90		1250.9Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.
A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization
Acta Crystallographica Section B, 2020, 76
2108682 CIF
HKL		C16 H12 O12 Zn2C 1 2/c 116.1681; 16.261; 13.7893
90; 110.508; 90		3395.6Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section B, 2020, 76
2108683 CIF
HKL		C28 H20 N4 O11 Zn2P -110.07; 12.144; 14.172
104.63; 105.637; 109.156		1461.6Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section B, 2020, 76
2108684 CIF
HKL		C26 H20 N2 O12 Zn2P -17.8759; 8.0318; 20.59
86.441; 88.986; 72.182		1237.6Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section B, 2020, 76
2108685 CIF
HKL		C28 H14 Cd2 N2 O9P -111.2042; 11.2728; 11.7208
109.537; 97.561; 110.368		1255.34Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section B, 2020, 76
2108686 CIF
HKL		C26 H18 N2 Ni2 O11P -19.2229; 12.2226; 13.073
112.261; 106.134; 97.765		1261.3Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section B, 2020, 76
2108687 CIF
HKL		C128 H85 Co4 N12 O18P 1 21/c 131.055; 23.792; 16.54
90; 94.255; 90		12187Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section B, 2020, 76
2108688 CIF
HKL		C48 H32 Co2 N4 O10P -112.068; 14.523; 14.662
68.654; 79.061; 75.13		2300Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section B, 2020, 76
2108689 CIFC26 H33 N O2P 21 21 217.4313; 9.6383; 29.8978
90; 90; 90		2141.43Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof
Charge density analysis of abiraterone acetate
Acta Crystallographica Section B, 2020, 76

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