Crystallography Open Database

Information card for entry 7024945

Preview

Coordinates	7024945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H71 Cl2 F24 N34 Ni7 O0.5 P4
Calculated formula	C96 H71 Cl2 F24 N34 Ni7 O0.5 P4
Title of publication	Probing the electronic communication of linear heptanickel and nonanickel string complexes by utilizing two redox-active [Ni2(napy)4]3+ moieties.
Authors of publication	Hua, Shao-An; Liu, Isiah Po-Chun; Hasanov, Hasan; Huang, Gin-Chen; Ismayilov, Rayyat Huseyn; Chiu, Chien-Lan; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	16
Pages of publication	3890 - 3896
a	16.9092 ± 0.0005 Å
b	18.0424 ± 0.0006 Å
c	20.6044 ± 0.0006 Å
α	105.432 ± 0.0016°
β	99.932 ± 0.0015°
γ	110.069 ± 0.0015°
Cell volume	5444.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2473
Weighted residual factors for all reflections included in the refinement	0.294
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	7024945.cif
92757	2014-01-12	cif/ Adding structures of 7024943, 7024944, 7024945 via cif-deposit CGI script.	7024945.cif