Crystallography Open Database

Information card for entry 7100162

Preview

Coordinates	7100162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 B Br Fe N6
Calculated formula	C28 H42 B Br Fe N6
SMILES	Br[Fe]12=C3N([BH](N4C=1N(C=C4)C(C)(C)C)N1C=2N(C=C1)C(C)(C)C)C=CN3C(C)(C)C.c1(ccccc1)C
Title of publication	Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton
Authors of publication	T. C. W. Mak; Xu-Dong Chen
Journal of publication	Chemical Communications
Year of publication	2005
a	18.9117 ± 0.0019 Å
b	16.2675 ± 0.0017 Å
c	10.125 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3114.9 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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