Crystallography Open Database

Information card for entry 1553772

Preview

Coordinates	1553772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.33 H10 Cl0.67 Co0.33 N2.67 O4
Calculated formula	C5.33333 H10 Cl0.666667 Co0.333333 N2.66667 O4
Title of publication	Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines
Authors of publication	Liang, Dong-Dong; Wang, Mei-Xiang
Journal of publication	Organic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	7
Pages of publication	1425
a	11.9766 ± 0.0004 Å
b	19.3355 ± 0.0005 Å
c	12.7804 ± 0.0004 Å
α	90°
β	114.734 ± 0.004°
γ	90°
Cell volume	2688.09 ± 0.17 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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	0.0713
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1679
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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