Crystallography Open Database

Information card for entry 7219438

7219437 << 7219438 >> 7219439

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Coordinates	7219438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 N10 Ni2 O3
Calculated formula	C16 H26 N10 Ni2
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	28.9962 ± 0.0009 Å
b	28.9962 ± 0.0009 Å
c	32.8782 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	23939.8 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
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.	7219438.cif
130243	2015-01-31	cif/ Adding structures of 7219438, 7219439, 7219440 via cif-deposit CGI script.	7219438.cif