Crystallography Open Database

Information card for entry 4312023

4312022 << 4312023 >> 4312024

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Coordinates	4312023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H18 Fe N Ni3 S30
Calculated formula	C36 H18 Fe N Ni3 S30
Title of publication	New 1:3 Type Nickel-Bis(dithiolene) Salt (FcCHCHPymCH3)[Ni(dmit)2]3 (dmit: 2-Thioxo-1,3-dithiole-4,5-dithiolate): Its Electrocrystallization, Crystal Structure, Electrical Properties, and Electronic Band Structure Analysis
Authors of publication	Yoon-Kyoung Han; Dong-Kyun Seo; Haeyong Kang; Woun Kang; Dong-Youn Noh
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7294 - 7300
a	11.43 ± 0.005 Å
b	13.349 ± 0.002 Å
c	19.355 ± 0.006 Å
α	75.15 ± 0.02°
β	79.19 ± 0.03°
γ	82.12 ± 0.02°
Cell volume	2791.5 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
179159 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/20.	4312023.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312023.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312023.cif
3525	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312023 via cif-deposit CGI script.	4312023.cif