Crystallography Open Database

Information card for entry 4334054

Preview

Coordinates	4334054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86.33 H93 N31.67 Ni3 O20 W2
Calculated formula	C86.332 H84.998 N31.666 Ni3 O20 W2
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	29.1095 ± 0.0002 Å
b	16.8728 ± 0.0001 Å
c	21.417 ± 0.0001 Å
α	90°
β	90.182 ± 0.001°
γ	90°
Cell volume	10519.1 ± 0.11 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 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	0.05
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for all reflections	0.0549
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for all reflections included in the refinement	1.0314
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
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334054.cif
99864	2014-02-03	cif/ Adding structures of 4334054 via cif-deposit CGI script.	4334054.cif