Crystallography Open Database

Information card for entry 2006053

2006052 << 2006053 >> 2006054

Preview

Coordinates	2006053.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	tran-Bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N^1^, N')copper(II) tetrafluoroborate
Formula	C24 H20 B2 Cu F8 N12
Calculated formula	C24 H20 B2 Cu F8 N12
Title of publication	<i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole-<i>N</i>^1^,<i>N</i>']copper(II) Bis(tetrafluoroborate)
Authors of publication	Jircitano, A. J.; Sommerer, S. O.; Abboud, K. A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	4
Pages of publication	434 - 436
a	8.814 ± 0.002 Å
b	9.742 ± 0.002 Å
c	16.516 ± 0.003 Å
α	90°
β	99.65 ± 0.03°
γ	90°
Cell volume	1398.1 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for all reflections	0.169
Weighted residual factors for significantly intense reflections	0.1467
Goodness-of-fit parameter for all reflections	1.043
Goodness-of-fit parameter for significantly intense reflections	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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