Crystallography Open Database

Information card for entry 7208711

7208710 << 7208711 >> 7208712

Preview

Coordinates	7208711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Br Cd3 N9 S7
Calculated formula	C20 H28 Br Cd3 N9 S7
Title of publication	Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates
Authors of publication	Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6599
a	21.4812 ± 0.0008 Å
b	5.8879 ± 0.0001 Å
c	27.0285 ± 0.0008 Å
α	90°
β	98.74 ± 0.003°
γ	90°
Cell volume	3378.85 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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/7208711.html