Crystallography Open Database

Information card for entry 4503923

Preview

Coordinates	4503923.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C16 H28 N12 Ni4 O8
Formula	C4 H7 N3 Ni O2
Calculated formula	C4 H7 N3 Ni O2
Title of publication	Syntheses, Structures, and Magnetic Properties of Two Novel Three-Dimensional Frameworks Built from M4O4Cubanes and Dicyanamide Bridges
Authors of publication	Lin, Zuodong; Li, Zhifeng; Zhang, Hongjie
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	4
Pages of publication	589
a	13.9318 ± 0.0003 Å
b	13.9318 ± 0.0003 Å
c	29.5213 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5729.9 ± 0.3 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179574 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/39.	4503923.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503923.cif
44817	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503923 via cif-deposit CGI script.	4503923.cif