Crystallography Open Database

Information card for entry 7219439

7219438 << 7219439 >> 7219440

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Coordinates	7219439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 N11 Ni2 O
Calculated formula	C20 H33 N11 Ni2 O
Title of publication	Syntheses, crystal structures and properties of three cyano-bridged one-dimensional coordination polymers based on macrocyclic metallic tectons
Authors of publication	Jiang, Xiang; Tao, Bo; Yu, Li Xiao; Wang, Hong Yun; Xia, Hua
Journal of publication	RSC Adv.
Year of publication	2015
a	9.812 ± 0.002 Å
b	13.179 ± 0.003 Å
c	20.122 ± 0.004 Å
α	90°
β	102.78 ± 0.03°
γ	90°
Cell volume	2537.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.084
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1849
Weighted residual factors for all reflections included in the refinement	0.1978
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219439.cif
130243	2015-01-31	cif/ Adding structures of 7219438, 7219439, 7219440 via cif-deposit CGI script.	7219439.cif