Crystallography Open Database

Information card for entry 4324031

Preview

Coordinates	4324031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 Cd N9 Ni
Calculated formula	C27 H24 Cd N9 Ni
Title of publication	Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]
Authors of publication	Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	1842 - 1848
a	8.149 ± 0.002 Å
b	9.577 ± 0.001 Å
c	9.865 ± 0.002 Å
α	81.03 ± 0.01°
β	94.08 ± 0.02°
γ	106.08 ± 0.02°
Cell volume	730.4 ± 0.3 Å³
Cell temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0567
Goodness-of-fit parameter for significantly intense reflections	1.178
Diffraction radiation wavelength	0.70926 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179343 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/40.	4324031.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4324031.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324031.cif
24306	2011-08-19	../uploads/cif-deposit/cod/cif Adding structures of 4324031 via cif-deposit CGI script.	4324031.cif