Crystallography Open Database

Information card for entry 7209767

7209766 << 7209767 >> 7209768

Preview

Coordinates	7209767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cu N4 Ni O12
Calculated formula	C24 H24 Cu N4 Ni O12
Title of publication	Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+
Authors of publication	Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	15
Pages of publication	2800
a	15.674 ± 0.003 Å
b	8.6916 ± 0.0017 Å
c	19.06 ± 0.004 Å
α	90°
β	91.3 ± 0.03°
γ	90°
Cell volume	2595.9 ± 0.9 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180428 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/97.	7209767.cif
86091	2013-05-09	cif/ Adding structures of 7209766, 7209767, 7209768 via cif-deposit CGI script.	7209767.cif