Crystallography Open Database

Information card for entry 7019345

7019344 << 7019345 >> 7019346

Preview

Coordinates	7019345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H7 N6 Pt S4
Calculated formula	C13 H7 N6 Pt 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	41.504 ± 0.003 Å
b	6.5122 ± 0.0004 Å
c	12.9716 ± 0.0009 Å
α	90°
β	95.034 ± 0.001°
γ	90°
Cell volume	3492.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0321
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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/7019345.html