Crystallography Open Database

Information card for entry 7213630

Preview

Coordinates	7213630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N14 Ni O4 S2
Calculated formula	C32 H28 N14 Ni O4 S2
Title of publication	An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system
Authors of publication	Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	4
Pages of publication	654
a	9.6417 ± 0.0006 Å
b	10.264 ± 0.0006 Å
c	11.8286 ± 0.0006 Å
α	66.695 ± 0.006°
β	67.466 ± 0.005°
γ	64.424 ± 0.006°
Cell volume	937.31 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0542
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for all reflections	0.0619
Weighted residual factors for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.046
Goodness-of-fit parameter for all reflections included in the refinement	1.0813
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
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.	7213630.cif
105140	2014-03-11	cif/ Adding structures of 7213629, 7213630, 7213631 via cif-deposit CGI script.	7213630.cif