Crystallography Open Database

Information card for entry 7051343

Preview

Coordinates	7051343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H19 Br N4
Calculated formula	C6 H19 Br N4
SMILES	[Br-].N(CC[NH3+])(CCN)CCN
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	10
Pages of publication	787 - 798
a	8.6143 ± 0.0017 Å
b	8.7903 ± 0.0018 Å
c	13.772 ± 0.003 Å
α	90°
β	95.5 ± 0.03°
γ	90°
Cell volume	1038.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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