Output from Program DRAGON-WWW

Generation of hkl and 2q

Organic Sodium Salt

Cell parameters

a (Å) b (Å) c (Å) a (°) b (°) g (°) V (Å³)
8.01400 14.51000 6.63700 90.000 90.000 90.000 771.8

Wavelength = 1.54056 Å 2q Maximum = 43.000° Zero Error = 0.000° Minimum d-spacing = 2.10171 Å

Space group is Pmmm Lattice = P 1^st symbol = m 2^nd symbol = m 3^rd symbol = m Crystal class is m m m

Space group has no extinction conditions

Number of generated reflections is 69 Number output to browser is 69

h k l J d (Å) 2q (°) h k l J d (Å) 2q (°) h k l J d (Å) 2q (°)

0 1 0 2 14.5100 6.086 0 1 2 4 3.2350 27.550 3 0 1 4 2.4781 36.219

1 0 0 2 8.0140 11.031 0 4 1 4 3.1831 28.008 0 4 2 4 2.4485 36.672

0 2 0 2 7.2550 12.189 2 2 1 8 3.1011 28.764 3 1 1 8 2.4428 36.762

1 1 0 4 7.0151 12.608 2 3 0 4 3.0856 28.912 0 6 0 2 2.4183 37.147

0 0 1 2 6.6370 13.329 1 0 2 4 3.0660 29.101 2 2 2 8 2.4106 37.270

0 1 1 4 6.0356 14.665 0 2 2 4 3.0178 29.576 2 5 0 4 2.3503 38.262

1 2 0 4 5.3784 16.468 1 1 2 8 2.9998 29.758 3 2 1 8 2.3451 38.351

1 0 1 4 5.1116 17.334 1 4 1 8 2.9583 30.185 1 4 2 8 2.3416 38.410

0 2 1 4 4.8970 18.100 0 5 0 2 2.9020 30.785 3 3 0 4 2.3384 38.466

0 3 0 2 4.8367 18.328 1 2 2 8 2.8242 31.655 1 6 0 4 2.3152 38.866

1 1 1 8 4.8212 18.387 2 3 1 8 2.7980 31.959 0 6 1 4 2.2722 39.632

1 2 1 8 4.1786 21.245 0 3 2 4 2.7364 32.699 2 3 2 8 2.2597 39.860

1 3 0 4 4.1409 21.441 1 5 0 4 2.7286 32.795 2 5 1 8 2.2155 40.690

2 0 0 2 4.0070 22.166 2 4 0 4 2.6892 33.289 0 0 3 2 2.2123 40.752

0 3 1 4 3.9089 22.730 3 0 0 2 2.6713 33.518 3 3 1 8 2.2055 40.883

2 1 0 4 3.8624 23.007 0 5 1 4 2.6589 33.679 0 1 3 4 2.1871 41.244

0 4 0 2 3.6275 24.520 3 1 0 4 2.6272 34.099 1 6 1 8 2.1860 41.264

1 3 1 8 3.5132 25.330 1 3 2 8 2.5896 34.610 0 5 2 4 2.1845 41.294

2 2 0 4 3.5076 25.372 2 0 2 4 2.5558 35.081 3 4 0 4 2.1510 41.967

2 0 1 4 3.4303 25.953 1 5 1 8 2.5237 35.543 1 0 3 4 2.1326 42.348

2 1 1 8 3.3383 26.681 2 1 2 8 2.5171 35.639 0 2 3 4 2.1161 42.693

0 0 2 2 3.3185 26.843 3 2 0 4 2.5068 35.790 1 1 3 8 2.1099 42.825

1 4 0 4 3.3047 26.958 2 4 1 8 2.4924 36.004 1 5 2 8 2.1076 42.873

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Author(s): Jeremy Karl Cockcroft

a (Å)	b (Å)	c (Å)	a (°)	b (°)	g (°)	V (Å³)
8.01400	14.51000	6.63700	90.000	90.000	90.000	771.8

h	k	l	J	d (Å)	2q (°)	h	k	l	J	d (Å)	2q (°)	h	k	l	J	d (Å)	2q (°)
0	1	0	2	14.5100	6.086	0	1	2	4	3.2350	27.550	3	0	1	4	2.4781	36.219
1	0	0	2	8.0140	11.031	0	4	1	4	3.1831	28.008	0	4	2	4	2.4485	36.672
0	2	0	2	7.2550	12.189	2	2	1	8	3.1011	28.764	3	1	1	8	2.4428	36.762
1	1	0	4	7.0151	12.608	2	3	0	4	3.0856	28.912	0	6	0	2	2.4183	37.147
0	0	1	2	6.6370	13.329	1	0	2	4	3.0660	29.101	2	2	2	8	2.4106	37.270
0	1	1	4	6.0356	14.665	0	2	2	4	3.0178	29.576	2	5	0	4	2.3503	38.262
1	2	0	4	5.3784	16.468	1	1	2	8	2.9998	29.758	3	2	1	8	2.3451	38.351
1	0	1	4	5.1116	17.334	1	4	1	8	2.9583	30.185	1	4	2	8	2.3416	38.410
0	2	1	4	4.8970	18.100	0	5	0	2	2.9020	30.785	3	3	0	4	2.3384	38.466
0	3	0	2	4.8367	18.328	1	2	2	8	2.8242	31.655	1	6	0	4	2.3152	38.866
1	1	1	8	4.8212	18.387	2	3	1	8	2.7980	31.959	0	6	1	4	2.2722	39.632
1	2	1	8	4.1786	21.245	0	3	2	4	2.7364	32.699	2	3	2	8	2.2597	39.860
1	3	0	4	4.1409	21.441	1	5	0	4	2.7286	32.795	2	5	1	8	2.2155	40.690
2	0	0	2	4.0070	22.166	2	4	0	4	2.6892	33.289	0	0	3	2	2.2123	40.752
0	3	1	4	3.9089	22.730	3	0	0	2	2.6713	33.518	3	3	1	8	2.2055	40.883
2	1	0	4	3.8624	23.007	0	5	1	4	2.6589	33.679	0	1	3	4	2.1871	41.244
0	4	0	2	3.6275	24.520	3	1	0	4	2.6272	34.099	1	6	1	8	2.1860	41.264
1	3	1	8	3.5132	25.330	1	3	2	8	2.5896	34.610	0	5	2	4	2.1845	41.294
2	2	0	4	3.5076	25.372	2	0	2	4	2.5558	35.081	3	4	0	4	2.1510	41.967
2	0	1	4	3.4303	25.953	1	5	1	8	2.5237	35.543	1	0	3	4	2.1326	42.348
2	1	1	8	3.3383	26.681	2	1	2	8	2.5171	35.639	0	2	3	4	2.1161	42.693
0	0	2	2	3.3185	26.843	3	2	0	4	2.5068	35.790	1	1	3	8	2.1099	42.825
1	4	0	4	3.3047	26.958	2	4	1	8	2.4924	36.004	1	5	2	8	2.1076	42.873