Crystallography Open Database

Information card for entry 4509171

Preview

Coordinates	4509171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H108 Cl3 N42 Ni9 O58
Calculated formula	C144 H108 Cl3 N42 Ni9 O58
Title of publication	Coordination-Driven Face-Directed Self-Assembly of a M9L6Hexahedral Nanocage from Octahedral Ni(II) Ions and Asymmetric Hydrazone Ligands
Authors of publication	Zhang, Qingfu; Jiang, Feilong; Huang, Yougui; Wu, Mingyan; Hong, Maochun
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	1
Pages of publication	28
a	22.197 ± 0.006 Å
b	61.819 ± 0.014 Å
c	22.214 ± 0.006 Å
α	90°
β	118.519 ± 0.004°
γ	90°
Cell volume	26783 ± 12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1179
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1936
Weighted residual factors for all reflections included in the refinement	0.2217
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179627 (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 4/50/91.	4509171.cif
97155	2014-01-29	cif/ Adding structures of 4509171 via cif-deposit CGI script.	4509171.cif