Crystallography Open Database

Information card for entry 7006752

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Coordinates	7006752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H96 N26 Ni3 O9
Calculated formula	C63.96 H84 N25.98 Ni3 O9.02
Title of publication	Self-assembled meso-helicates of linear trinuclear nickel(II)-radical complexes with triple pyrazolate bridges.
Authors of publication	Yamada, Susumu; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	13
Pages of publication	1622 - 1626
a	20.827 ± 0.002 Å
b	20.827 ± 0.002 Å
c	20.827 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9034 ± 1.5 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.2531
Weighted residual factors for all reflections included in the refinement	0.2622
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7006752.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006752.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006752.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006752.cif