Crystallography Open Database

Information card for entry 7019347

7019346 << 7019347 >> 7019348

Preview

Coordinates	7019347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H6 D N6 Ni S4
Calculated formula	C13 H6 D N6 Ni S4
Title of publication	Observation of divergent isotope effects as well as metal ion-modulated T(C) and spin-canting nature in isostructural supramolecular magnets.
Authors of publication	Pei, Wen-Bo; Wu, Jian-Sheng; Ren, Xiao-Ming; Tian, Zheng-Fang; Xie, Jingli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	25
Pages of publication	7609 - 7619
a	41.406 ± 0.005 Å
b	6.4709 ± 0.0008 Å
c	12.9791 ± 0.0016 Å
α	90°
β	93.78 ± 0.002°
γ	90°
Cell volume	3470 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7019347.html