Crystallography Open Database

Information card for entry 7211856

Preview

Coordinates	7211856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cu11 I7 N8 S4
Calculated formula	C16 H12 Cu11 I7 N8 S4
Title of publication	Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands
Authors of publication	Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1103
a	17.3499 ± 0.0012 Å
b	15.464 ± 0.001 Å
c	13.2336 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3550.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1816
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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