Crystallography Open Database

Information card for entry 4109350

Preview

Coordinates	4109350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H85 Cl4 N6 Ni3 O34
Calculated formula	C54 H85 Cl4 N6 Ni3 O34
Title of publication	Dielectric Anisotropy of a Homochiral Trinuclear Nickel(II) Complex
Authors of publication	Da-Wei Fu; Yu-Mei Song; Guo-Xi Wang; Qiong Ye; Ren-Gen Xiong; Tomoyuki Akutagawa; Takayoshi Nakamura; Philip Wai Hong Chan; Songping D. Huang
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5346 - 5347
a	13.554 ± 0.005 Å
b	12.809 ± 0.005 Å
c	22.151 ± 0.008 Å
α	90°
β	99.081 ± 0.005°
γ	90°
Cell volume	3798 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109350.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109350.cif
58116	2012-05-25	cif/ Adding structures of 4109350 via cif-deposit CGI script.	4109350.cif