Crystallography Open Database

Information card for entry 4503578

Preview

Coordinates	4503578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H70 K20 N24 Ni8 O77
Calculated formula	C60 H12 K20 N24 Ni8 O77
Title of publication	Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions
Authors of publication	Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2458
a	26.4185 ± 0.0009 Å
b	17.164 ± 0.0006 Å
c	29.4732 ± 0.001 Å
α	90°
β	109.447 ± 0.002°
γ	90°
Cell volume	12602.1 ± 0.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.154
Residual factor for significantly intense reflections	0.106
Weighted residual factors for significantly intense reflections	0.2961
Weighted residual factors for all reflections included in the refinement	0.3433
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179569 (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 4/50/35.	4503578.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503578.cif
41642	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503575, 4503576, 4503577, 4503578 via cif-deposit CGI script.	4503578.cif