Crystallography Open Database

Information card for entry 7022732

Preview

Coordinates	7022732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Cd2 N6 O4 S5
Calculated formula	C12 H14 Cd2 N6 O4 S5
Title of publication	New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.
Authors of publication	Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	18
Pages of publication	6429 - 6439
a	20.688 ± 0.0016 Å
b	5.8675 ± 0.0003 Å
c	19.9244 ± 0.0015 Å
α	90°
β	115.73 ± 0.009°
γ	90°
Cell volume	2178.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0304
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7022732.html