Crystallography Open Database

Information card for entry 4334053

Preview

Coordinates	4334053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H35 N7 Ni O9.5
Calculated formula	C36.5 H34.5 N7 Ni O9.5
Title of publication	Heptacoordinated Nickel(II) as an Ising-Type Anisotropic Building Unit: Illustration with a Pentanuclear [(NiL)3{W(CN)8}2] Complex
Authors of publication	Nayanmoni Gogoi; Mehrez Thlijeni; Carine Duhayon; Jean-Pascal Sutter
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2283 - 2285
a	8.39928 ± 0.00016 Å
b	18.0571 ± 0.0003 Å
c	23.6812 ± 0.0003 Å
α	90°
β	97.8721 ± 0.0016°
γ	90°
Cell volume	3557.8 ± 0.1 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for all reflections	0.0853
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334053.cif
99863	2014-02-03	cif/ Adding structures of 4334053 via cif-deposit CGI script.	4334053.cif