Crystallography Open Database

Information card for entry 4313609

Preview

Coordinates	4313609.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ni(4)2(N3)2]-2(H2O)
Formula	C30 H28 N18 Ni O2
Calculated formula	C30 H28 N18 Ni O2
Title of publication	Novel Metal-Organic Frameworks with Specific Topology from New Tripodal Ligands: 1,3,5-Tris(1-imidazolyl)benzene and 1,3-Bis(1-imidazolyl)-5-(imidazol-1-ylmethyl)benzene
Authors of publication	Jian Fan; Wei-Yin Sun; Taka-aki Okamura; Wen-Xia Tang; Norikazu Ueyama
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3168 - 3175
a	9.8033 ± 0.0003 Å
b	12.1369 ± 0.0005 Å
c	13.5215 ± 0.0005 Å
α	90°
β	107.328 ± 0.001°
γ	90°
Cell volume	1535.8 ± 0.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0375
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179198 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/36.	4313609.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313609.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313609.cif
6678	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313609 via cif-deposit CGI script.	4313609.cif