Crystallography Open Database

Information card for entry 7020118

7020117 << 7020118 >> 7020119

Preview

Coordinates	7020118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H24 Cl N5 Ni O5
Calculated formula	C9 H24 Cl N5 Ni O5
Title of publication	First examples of two ferromagnetic end-to-end cyanate bridged 1D linear coordination polymers of nickel(II) containing an unsymmetrical diamine.
Authors of publication	Choubey, Somnath; Bhar, Kishalay; Chattopadhyay, Soumi; Hazra, Arpan; Maji, Tapas Kumar; Ribas, Joan; Ghosh, Barindra Kumar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	38
Pages of publication	11551 - 11554
a	16.315 ± 0.005 Å
b	6.425 ± 0.005 Å
c	8.559 ± 0.005 Å
α	90°
β	118.238 ± 0.005°
γ	90°
Cell volume	790.4 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179905 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/01.	7020118.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020118.cif
71504	2013-01-20	cif/ Adding structures of 7020118, 7020119 via cif-deposit CGI script.	7020118.cif