Crystallography Open Database

Information card for entry 7209768

7209767 << 7209768 >> 7209769

Preview

Coordinates	7209768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Mn N4 Ni O12
Calculated formula	C24 H16 Mn 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	15.9 ± 0.02 Å
b	8.875 ± 0.011 Å
c	24.97 ± 0.02 Å
α	90°
β	128.93 ± 0.05°
γ	90°
Cell volume	2741 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1275
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2367
Weighted residual factors for all reflections included in the refinement	0.294
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7209768.cif
86091	2013-05-09	cif/ Adding structures of 7209766, 7209767, 7209768 via cif-deposit CGI script.	7209768.cif