Crystallography Open Database

Information card for entry 7002688

Preview

Coordinates	7002688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Cl2 N8 Ni2 O10 S2
Calculated formula	C44 H49 Cl2 N8 Ni2 O10 S2
Title of publication	(μ-η2:η2-Disulfido)dinickel(II) complexes supported by 6-methyl-TPA ligands
Authors of publication	Inosako, Masayuki; Kunishita, Atsushi; Kubo, Minoru; Ogura, Takashi; Sugimoto, Hideki; Itoh, Shinobu
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	43
Pages of publication	9410 - 9417
a	12.324 ± 0.01 Å
b	26.73 ± 0.014 Å
c	16.879 ± 0.012 Å
α	90°
β	106.5 ± 0.03°
γ	90°
Cell volume	5331 ± 6 Å³
Cell temperature	153.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7002688.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002688.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002688.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002688.cif